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 15 results

Search term: QOBGWWQAMAPULA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106785

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
C20H31NO301.4662454500
8063896

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
C20H31NO301.4662204500
28426180

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m1/s1
C20H31NO301.466214700
171995

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20-/m1/s1
C20H31NO301.46623300
7993603

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17?,19-,20-/m1/s1
C20H31NO301.46622100
8036881

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19?,20+/m1/s1
C20H31NO301.46622100
8063898

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17?,19?,20-/m0/s1
C20H31NO301.46622100
8956088

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1/i14+2
C1914CH31NO303.45882100
9383908

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20?/m1/s1
C20H31NO301.46622100
29364640

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20-/m1/s1
C20H31NO301.46622100
68896001

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m0/s1
C20H31NO301.46622100
78313681

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m0/s1
C20H31NO301.46621100
9525527

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20-/m0/s1
C20H31NO301.46621100
9815093

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1/i13T/t13?,17-,19-,20+
C20H30TNO303.47431200
9829404

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1/i15T/t15-,17+,19+,20-/m0
C20H30TNO303.47431100

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