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 9 results

Search term: PWWVAXIEGOYWEE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4758


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
C17H20N2S284.41911021348198695
599585

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/t13-/m1/s1
C17H20N2S284.41919900
581049

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/t13-/m0/s1
C17H20N2S284.41918600
21258708

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1
C17H21N2S285.42652200
78333869

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/i6D,7D,8D,9D
C17H16D4N2S288.44372200
78333910

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/i1D3,6D,7D,8D,9D
C17H13D7N2S291.46221100
5294321

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m0/s1
C17H21N2S285.427041100
5296505

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1
C17H21N2S285.427041100

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