2,3-bis(oxidanyl)butanedioic acid; 3-ethylsulfonylbenzamide

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-ethylsulfonylbenzamide Openeye Name: 2,3-dihydroxybutanedioic acid; 3-ethylsulfonylbenzamide CAS Name: 2,3-dihydroxybutanedioic acid; 3-ethylsulfonylbenzamide IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-ethylsulfonylbenzamide Traditional Name: 3-esylbenzamide; tartaric acid Formula: C13H17NO9S MolecularWeight: 363.34038

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C9H11NO3S.C4H6O6/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11;5-1(3(7)8)2(6)4(9)10/h3-6H,2H2,1H3,(H2,10,11);1-2,5-6H,(H,7,8)(H,9,10)