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 4 results

Search term: NPSCVPDGNXYQKV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21388777

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C31H42N2O7/c1-30-15-14-27(40-29(37)33-21-9-7-10-22(16-21)38-3)31(2,19-34)26(30)13-12-24(35)23(30)17-28(36)32-18-20-8-5-6-11-25(20)39-4/h5-11,16,23-24,26-27,34-35H,12-15,17-19H2,1-4H3,(H,32,36)(H,33,37)/t23-,24-,26?,27-,30+,31+/m1/s1
C31H42N2O7554.67445200
10059104

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H42N2O7/c1-30-15-14-27(40-29(37)33-21-9-7-10-22(16-21)38-3)31(2,19-34)26(30)13-12-24(35)23(30)17-28(36)32-18-20-8-5-6-11-25(20)39-4/h5-11,16,23-24,26-27,34-35H,12-15,17-19H2,1-4H3,(H,32,36)(H,33,37)/t23-,24-,26-,27-,30+,31+/m1/s1
C31H42N2O7554.67443200
10059105

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H42N2O7/c1-30-15-14-27(40-29(37)33-21-9-7-10-22(16-21)38-3)31(2,19-34)26(30)13-12-24(35)23(30)17-28(36)32-18-20-8-5-6-11-25(20)39-4/h5-11,16,23-24,26-27,34-35H,12-15,17-19H2,1-4H3,(H,32,36)(H,33,37)/t23-,24-,26+,27-,30+,31+/m1/s1
C31H42N2O7554.67442100
3076068

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H42N2O7/c1-30-15-14-27(40-29(37)33-21-9-7-10-22(16-21)38-3)31(2,19-34)26(30)13-12-24(35)23(30)17-28(36)32-18-20-8-5-6-11-25(20)39-4/h5-11,16,23-24,26-27,34-35H,12-15,17-19H2,1-4H3,(H,32,36)(H,33,37)
C31H42N2O7554.67442100

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