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: GKTWGGQPFAXNFI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54632


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
C16H16ClNO2S321.8217112108555710
2704

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
C16H16ClNO2S321.8217662114555710
580928

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m1/s1
C16H16ClNO2S321.8217191300
8749800

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i2+1,3+1,4+1,5+1,12+1,13+1
C1013C6H16ClNO2S327.77774400
29416286

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i6T2,8T2,10T2
C16H10T6ClNO2S333.87042200
29419112

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i10T2
C16H14T2ClNO2S325.8382200
29419318

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i6T2,8T2
C16H12T4ClNO2S329.85422200
58793359

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i2D,3D,4D,5D
C16H12D4ClNO2S325.84642200
78057680

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/i1D3
C16H13D3ClNO2S324.84021100
114394271

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1/i16+2
C1514CH16ClNO2S323.81431100
5294209

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/p+1/t15-/m0/s1
C16H17ClNO2S322.829681100

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