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
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Found 6 results

Search term: VWQUVTOLQIBAKW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4894486

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3/b12-11+/t17-,18+/m0/s1
C20H27NO3329.433312700
26400326

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3/b12-11-/t17-,18+/m0/s1
C20H27NO3329.43332200
2555704

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3
C20H27NO3329.43332100
35312147

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3/t17-,18+/m0/s1
C20H27NO3329.43331100
109838160

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3/b12-11+
C20H27NO3329.43331100
10048241

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27NO3/c1-23-19-10-3-2-7-16(19)11-12-20(22)24-15-17-8-6-14-21-13-5-4-9-18(17)21/h2-3,7,10-12,17-18H,4-6,8-9,13-15H2,1H3/p+1/b12-11+/t17-,18+/m0/s1
C20H28NO3330.44071100

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