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 11 results

Search term: XGWIJUOSCAQSSV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10469179

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1
C17H21ClN2O2S352.8788526872
3753586

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)
C17H21ClN2O2S352.878842941293
154838

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m1/s1
C17H21ClN2O2S352.8788251800
23089069

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m1/s1
C17H21ClN2O2S352.87889500
66324

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m0/s1
C17H21ClN2O2S352.87886400
107447470

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15-/m0/s1/i2D2,3D2,4D2,5D2,6D2,14D
C17H10D11ClN2O2S363.94662500
128938085

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1/i2D2,3D2,4D2,5D2,6D2,14D
C17H10D11ClN2O2S363.94662200
115011015

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m1/s1/i2D2,3D2,4D2,5D2,6D2,14D
C17H10D11ClN2O2S363.94661100
128924885

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15-/m1/s1
C17H21ClN2O2S352.87881100
34451988

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1/i5D2,6D2
C17H17D4ClN2O2S356.90351100
71048080

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/i15+2
C1614CH21ClN2O2S354.87141100

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