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: VQOKDGHIWGMVTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5956171

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C25H29N3O2/c1-4-27-14-8-10-19(27)15-26-16-22-20-11-5-6-12-21(20)24(29)28(25(22)30)23-13-7-9-17(2)18(23)3/h5-7,9,11-13,16,19,22H,4,8,10,14-15H2,1-3H3/b26-16+/t19-,22?/m0/s1
C25H29N3O2403.51672100
5956173

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C25H29N3O2/c1-4-27-14-8-10-19(27)15-26-16-22-20-11-5-6-12-21(20)24(29)28(25(22)30)23-13-7-9-17(2)18(23)3/h5-7,9,11-13,16,19,22H,4,8,10,14-15H2,1-3H3/b26-16+/t19-,22?/m1/s1
C25H29N3O2403.51672100
5956170

Charge

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C25H29N3O2/c1-4-27-14-8-10-19(27)15-26-16-22-20-11-5-6-12-21(20)24(29)28(25(22)30)23-13-7-9-17(2)18(23)3/h5-7,9,11-13,16,19,22H,4,8,10,14-15H2,1-3H3/p+1/b26-16+/t19-,22?/m0/s1
C25H30N3O2404.52411100
5956172

Charge

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C25H29N3O2/c1-4-27-14-8-10-19(27)15-26-16-22-20-11-5-6-12-21(20)24(29)28(25(22)30)23-13-7-9-17(2)18(23)3/h5-7,9,11-13,16,19,22H,4,8,10,14-15H2,1-3H3/p+1/b26-16+/t19-,22?/m1/s1
C25H30N3O2404.52411100

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