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: JSUANXYBLFQZGI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589175

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,35,38-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)/b31-20-/t19-,26+/m1/s1
C32H36N4O9620.64963300
8092730

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,35,38-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)/b31-20+
C32H36N4O9620.649631100

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