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 4 results

Search term: MVCWQSBQUMRYDD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
380513

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H19N3O6S2/c1-10(22)27-7-11-8-29-17-14(16(24)21(17)15(11)18(25)26)19-13(23)9-28-12-3-5-20(2)6-4-12/h3-6,14,17H,7-9H2,1-2H3,(H-,19,23,25,26)/p+1
C18H20N3O6S2438.49746400
8178780

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H19N3O6S2/c1-10(22)27-7-11-8-29-17-14(16(24)21(17)15(11)18(25)26)19-13(23)9-28-12-3-5-20(2)6-4-12/h3-6,14,17H,7-9H2,1-2H3,(H-,19,23,25,26)
C18H19N3O6S2437.495400
186283

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H19N3O6S2/c1-10(22)27-7-11-8-29-17-14(16(24)21(17)15(11)18(25)26)19-13(23)9-28-12-3-5-20(2)6-4-12/h3-6,14,17H,7-9H2,1-2H3,(H-,19,23,25,26)/t14-,17-/m1/s1
C18H19N3O6S2437.495500
166015

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H19N3O6S2/c1-10(22)27-7-11-8-29-17-14(16(24)21(17)15(11)18(25)26)19-13(23)9-28-12-3-5-20(2)6-4-12/h3-6,14,17H,7-9H2,1-2H3,(H-,19,23,25,26)/p+1/t14-,17-/m1/s1
C18H20N3O6S2438.49743400

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