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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 9 results

Search term: IJLVDQCUUOUTLI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
103835866

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6-,10-8-,11-9-,14-12-,15-13-,18-16-,19-17-/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10564400
110417887

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10562200
8008590

Double-bond stereo

15 of 19 defined stereocentres - 15/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16-,19-17+/t28?,29?,30?,31-,32-,33-,34+,35+,36-,37-,38+,39+,41?,42+,43-,44-,45+,47+,48-/m1/s1
C48H75NO17938.10562100
8209366

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16-,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10562100
17591970

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48-/m0/s1
C48H75NO17938.10562200
115009452

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6?,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10561100
115015190

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8-,11-9-,14-12?,15-13?,18-16+,19-17-/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10561100
128919475

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C48H75NO17/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-35(65-47-45(59)42(49)44(58)31(4)64-47)25-39-41(46(60)61)38(55)27-48(62-5,66-39)26-34(52)23-37(54)36(53)21-20-32(50)22-33(51)24-40(56)63-30(3)29(2)43(28)57/h6-19,28-39,41-45,47,50-55,57-59H,20-27,49H2,1-5H3,(H,60,61)/b7-6+,10-8+,11-9-,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,41+,42-,43+,44+,45-,47-,48+/m0/s1
C48H75NO17938.10561400

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