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 5 results

Search term: NTDQRYUYOJKLGN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2385719

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3
C30H32N2O7532.584279999999231600
62318031

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3/t20-,28-/m0/s1
C30H32N2O7532.58432200
62418146

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3/t20-,28+/m0/s1
C30H32N2O7532.58432200
62526574

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3/t20-,28+/m1/s1
C30H32N2O7532.58432200
62335655

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H32N2O7/c1-17-27(30(34)39-22-6-4-5-7-22)28(18-8-11-21(12-9-18)32(35)36)29-23(31-17)14-20(15-24(29)33)19-10-13-25(37-2)26(16-19)38-3/h8-13,16,20,22,28,31H,4-7,14-15H2,1-3H3/t20-,28-/m1/s1
C30H32N2O7532.58431100

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