Matches any text strings used to describe a molecule.
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 2 results

Search term: YKDIFIYQMWEPKW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5254736

Double-bond stereo

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C42H52O11/c1-23(4-13-37(48)49)28-9-10-29-40-30(22-36(47)42(28,29)3)41(2)17-16-27(52-38(50)14-7-24-5-11-31(43)33(45)18-24)20-26(41)21-35(40)53-39(51)15-8-25-6-12-32(44)34(46)19-25/h5-8,11-12,14-15,18-19,23,26-30,35-36,40,43-47H,4,9-10,13,16-17,20-22H2,1-3H3,(H,48,49)/b14-7+,15-8+/t23?,26?,27-,28?,29?,30?,35-,36+,40?,41+,42-/m1/s1
C42H52O11732.85572200
9040772

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C42H52O11/c1-23(4-13-37(48)49)28-9-10-29-40-30(22-36(47)42(28,29)3)41(2)17-16-27(52-38(50)14-7-24-5-11-31(43)33(45)18-24)20-26(41)21-35(40)53-39(51)15-8-25-6-12-32(44)34(46)19-25/h5-8,11-12,14-15,18-19,23,26-30,35-36,40,43-47H,4,9-10,13,16-17,20-22H2,1-3H3,(H,48,49)/b14-7+,15-8+/t23-,26-,27-,28-,29+,30+,35-,36+,40+,41+,42-/m1/s1
C42H52O11732.85572100

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