benzene; 2-oxidanyl-3-sulfooxy-butanedioic acid

Systemtic Name: benzene; 2-oxidanyl-3-sulfooxy-butanedioic acid Openeye Name: benzene; 2-hydroxy-3-sulfooxy-butanedioic acid CAS Name: benzene; 2-hydroxy-3-sulfooxybutanedioic acid IUPAC Name: benzene; 2-hydroxy-3-sulfooxybutanedioic acid Traditional Name: benzene; 2-hydroxy-3-sulfoxy-succinic acid Formula: C10H12O9S MolecularWeight: 308.26188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C(C(C(=O)O)OS(=O)(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=CC=C1.C(C(C(=O)O)OS(=O)(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H6.C4H6O9S/c1-2-4-6-5-3-1;5-1(3(6)7)2(4(8)9)13-14(10,11)12/h1-6H;1-2,5H,(H,6,7)(H,8,9)(H,10,11,12)