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: LNIVCWBOVMLVDX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3006113

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13N3O6S/c21-15-14(18-12-3-1-2-11(8-12)16(22)23)27-17(24)19(15)9-10-4-6-13(7-5-10)20(25)26/h1-8,14,18H,9H2,(H,22,23)
C17H13N3O6S387.36662221400
1484341

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13N3O6S/c21-15-14(18-12-3-1-2-11(8-12)16(22)23)27-17(24)19(15)9-10-4-6-13(7-5-10)20(25)26/h1-8,14,18H,9H2,(H,22,23)/t14-/m1/s1
C17H13N3O6S387.36662100
1484343

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13N3O6S/c21-15-14(18-12-3-1-2-11(8-12)16(22)23)27-17(24)19(15)9-10-4-6-13(7-5-10)20(25)26/h1-8,14,18H,9H2,(H,22,23)/t14-/m0/s1
C17H13N3O6S387.36662100
1484340

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13N3O6S/c21-15-14(18-12-3-1-2-11(8-12)16(22)23)27-17(24)19(15)9-10-4-6-13(7-5-10)20(25)26/h1-8,14,18H,9H2,(H,22,23)/p-1/t14-/m1/s1
C17H12N3O6S386.35921100
1484342

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13N3O6S/c21-15-14(18-12-3-1-2-11(8-12)16(22)23)27-17(24)19(15)9-10-4-6-13(7-5-10)20(25)26/h1-8,14,18H,9H2,(H,22,23)/p-1/t14-/m0/s1
C17H12N3O6S386.35921100

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