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 3 results

Search term: BRKAGFMCNCWJPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4718253

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32N2O7/c1-17(2)39-22-10-9-20(12-18(22)3)27(33)25-26(21-13-23(36-4)29(38-6)24(14-21)37-5)32(30(35)28(25)34)16-19-8-7-11-31-15-19/h7-15,17,26,33H,16H2,1-6H3/b27-25+
C30H32N2O7532.5843101000
2721108

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32N2O7/c1-17(2)39-22-10-9-20(12-18(22)3)27(33)25-26(21-13-23(36-4)29(38-6)24(14-21)37-5)32(30(35)28(25)34)16-19-8-7-11-31-15-19/h7-15,17,26,33H,16H2,1-6H3
C30H32N2O7532.5842799999994400
78433163

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H32N2O7/c1-17(2)39-22-10-9-20(12-18(22)3)27(33)25-26(21-13-23(36-4)29(38-6)24(14-21)37-5)32(30(35)28(25)34)16-19-8-7-11-31-15-19/h7-15,17,26,33H,16H2,1-6H3/b27-25-
C30H32N2O7532.58431100

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