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 16 results

Search term: DWSGTFTVBLXELC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5616

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H
C16H22BrNO3356.254785058169
16739956

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15?;
C16H22BrNO3356.2548454600
4925541

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;
C16H22BrNO3356.254818800
8082330

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13-,15?;/m1./s1
C16H22BrNO3356.25483100
34451705

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15-;/m1./s1
C16H22BrNO3356.25483700
82827588

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14-,15?;
C16H22BrNO3356.25483300
78430747

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13-,15?;/m0./s1
C16H22BrNO3356.25482200
34989374

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14-,15-;/m0./s1
C16H22BrNO3356.25482200
59651180

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13?,14+,15?;/m0./s1
C16H22BrNO3356.25481100
32769768

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13?,14-,15?;/m1./s1
C16H22BrNO3356.25481100
4642446

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13?,14?,15?;/m0./s1
C16H22BrNO3356.25481100
78433226

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13?,14?,15?;/m1./s1
C16H22BrNO3356.25481100
78433694

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15-;/m1./s1
C16H22BrNO3356.25481100
78433695

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15-;/m0./s1
C16H22BrNO3356.25481100
107442788

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15?;/i1D3;
C16H19D3BrNO3359.27331100
111312725

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;/i1D3;
C16H19D3BrNO3359.27331100

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