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: KTHPKXXGORHCLK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10884495

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H38N2O/c1-24-20-27(22-25-8-12-29(13-9-25)32-16-4-2-5-17-32)31(34)28(21-24)23-26-10-14-30(15-11-26)33-18-6-3-7-19-33/h8-15,22-24H,2-7,16-21H2,1H3/b27-22-,28-23+
C31H38N2O454.64626400
65069611

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H38N2O/c1-24-20-27(22-25-8-12-29(13-9-25)32-16-4-2-5-17-32)31(34)28(21-24)23-26-10-14-30(15-11-26)33-18-6-3-7-19-33/h8-15,22-24H,2-7,16-21H2,1H3/b27-22-,28-23u
C31H38N2O454.64625600
113403461

Double-bond stereo
InChI=1/C31H38N2O/c1-24-20-27(22-25-8-12-29(13-9-25)32-16-4-2-5-17-32)31(34)28(21-24)23-26-10-14-30(15-11-26)33-18-6-3-7-19-33/h8-15,22-24H,2-7,16-21H2,1H3/b27-22+,28-23+
C31H38N2O454.64621100
128748986

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H38N2O/c1-24-20-27(22-25-8-12-29(13-9-25)32-16-4-2-5-17-32)31(34)28(21-24)23-26-10-14-30(15-11-26)33-18-6-3-7-19-33/h8-15,22-24H,2-7,16-21H2,1H3/b27-22+,28-23u
C31H38N2O454.64621100

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