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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 23 results

Search term: VSWBSWWIRNCQIJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143157

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
C17H16ClNO285.7686365800
2300725

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
C17H16ClNO285.76804374100
8079624

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
C17H16ClNO285.768306100
21162262

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m1/s1
C17H16ClNO285.7687600
48059623

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1+1D3
C1613CH13D3ClNO289.77927700
23976661

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15?/m0/s1
C17H16ClNO285.7686500
48059624

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1D3
C17H13D3ClNO288.78655500
78315317

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1
C17H16ClNO285.7685700
58781945

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1D3,9D2,10D2
C17H9D7ClNO292.81124600
21234562

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/p+1/t14-,15-/m0/s1
C17H17ClNO286.77542100
107562171

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1+1
C1613CH16ClNO286.76072100
8215282

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1/i15T
C17H15TClNO287.77612100
8238169

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i14+2
C1614CH16ClNO287.76062100
8261013

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1/i14+2
C1614CH16ClNO287.76062100
8532099

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i18+1
C17H1636ClNO286.28332100
8532189

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i15T
C17H15TClNO287.77612100
8532292

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i2T,7T
C17H14T2ClNO289.78432100
8622203

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i2T
C17H15TClNO287.77612100
110404703

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/i2D,3D,4D,5D
C17H12D4ClNO289.79271100
115009048

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1/i1D3
C17H13D3ClNO288.78651100
12

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