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
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Single/Multi-component
Isotopically Labeled
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Found 7 results

Search term: IDLSITKDRVDKRV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29423

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m0./s1
C17H22ClNO3323.81448495180
2303904

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m1./s1
C17H22ClNO3323.81448385400
571489

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H
C17H22ClNO3323.814483613400
29788044

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17+;/m0./s1
C17H22ClNO3323.81451200
44211353

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17+;/m1./s1
C17H22ClNO3323.81451100
107449737

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m0./s1/i4D,5D,8D,9D;
C17H18D4ClNO3327.83911100
115010991

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m1./s1/i1D3;
C17H19D3ClNO3326.8331100

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