[4,5,6,7-tetrakis(oxidanyl)-1-oxidanylidene-2-sulfanyl-heptan-3-yl] benzoate

Systemtic Name: [4,5,6,7-tetrakis(oxidanyl)-1-oxidanylidene-2-sulfanyl-heptan-3-yl] benzoate Openeye Name: [2,3,4,5-tetrahydroxy-1-(2-oxo-1-sulfanyl-ethyl)pentyl] benzoate CAS Name: benzoic acid (4,5,6,7-tetrahydroxy-2-mercapto-1-oxoheptan-3-yl) ester IUPAC Name: (4,5,6,7-tetrahydroxy-1-oxo-2-sulfanylheptan-3-yl) benzoate Traditional Name: benzoic acid [2,3,4,5-tetrahydroxy-1-(2-keto-1-mercapto-ethyl)pentyl] ester Formula: C14H18O7S MolecularWeight: 330.35352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C=O)S)C(C(C(CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C(C=O)S)C(C(C(CO)O)O)O

InChI

InChI=1S/C14H18O7S/c15-6-9(17)11(18)12(19)13(10(22)7-16)21-14(20)8-4-2-1-3-5-8/h1-5,7,9-13,15,17-19,22H,6H2