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 5 results

Search term: XLFZHGPPKSMYOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5144188

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/t11-,18-/m0/s1
C18H13N3O2S335.37977500
4578506

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2
C18H13N3O2S335.37976500
8195420

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/t11-,18-/m1/s1
C18H13N3O2S335.37972100
10143445

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/t11?,18-/m0/s1
C18H13N3O2S335.37972200
23106537

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/p+1/t11-,18-/m0/s1
C18H14N3O2S336.38712200

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