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 9 results

Search term: IKGNWHVZQVNYTA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34226797

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23-,24-,25-,31?/m0/s1
C31H48N4O7588.73542200
62426456

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23+,24+,25+,31-/m1/s1
C31H48N4O7588.73542200
62426457

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23+,24-,25+,31-/m1/s1
C31H48N4O7588.73542200
62426458

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23+,24+,25+,31+/m1/s1
C31H48N4O7588.73542200
62426459

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23+,24-,25+,31+/m1/s1
C31H48N4O7588.73542200
62426460

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23-,24-,25-,31+/m0/s1
C31H48N4O7588.73542200
62426461

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23-,24+,25-,31+/m0/s1
C31H48N4O7588.73542200
62426462

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23-,24-,25-,31-/m0/s1
C31H48N4O7588.73542200
62426463

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H48N4O7/c1-20(33-27(38)24(17-22-14-10-7-11-15-22)35-29(40)42-30(2,3)4)26(37)34-23(16-21-12-8-6-9-13-21)25(36)18-31(19-41-31)28(39)32-5/h7,10-11,14-15,20-21,23-25,36H,6,8-9,12-13,16-19H2,1-5H3,(H,32,39)(H,33,38)(H,34,37)(H,35,40)/t20-,23-,24+,25-,31-/m0/s1
C31H48N4O7588.73542200

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