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 17 results

Search term: QYIYFLOTGYLRGG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
46260

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
C15H14ClN3O4S367.807410311600
37396

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10-,14-/m1/s1
C15H14ClN3O4S367.80742114148618
2510

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)
C15H14ClN3O4S367.807418108000
8082912

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14+/m0/s1
C15H14ClN3O4S367.807412600
48059056

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1/i1D,2D,3D,4D,5D
C15H9D5ClN3O4S372.83826800
58146007

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10?,14-/m1/s1
C15H14ClN3O4S367.807451600
21469980

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14+/m1/s1
C15H14ClN3O4S367.80744200
5036095

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14-/m0/s1
C15H14ClN3O4S367.80743300
58824683

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14+/m0/s1/i1+1,2+1,3+1,4+1,5+1,7+1
C913C6H14ClN3O4S373.76333300
21234315

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14+/m0/s1
C15H14ClN3O4S367.80742200
34978259

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10-,14?/m1/s1
C15H14ClN3O4S367.80742200
8105672

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14-/m1/s1
C15H14ClN3O4S367.80741100
114392870

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10-,14-/m1/s1/i1D,2D,3D,4D,5D
C15H9D5ClN3O4S372.83821100
128926235

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14+/m1/s1
C15H14ClN3O4S367.80741100

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