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: NMSBQRSQYHTTIB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17467210

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H47NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26,32H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H47NO3457.68848400
3074232

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H47NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26,32H,6-16H2,1-5H3
C29H47NO3457.68843200
113598207

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H47NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26,32H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
C29H47NO3457.68841100
127384110

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H47NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26,32H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26?,27+,28+,29-/m1/s1
C29H47NO3457.68841100

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