phenoxybenzene; 2-sulfobutanedioate

Systemtic Name: phenoxybenzene; 2-sulfobutanedioate Openeye Name: phenoxybenzene; 2-sulfobutanedioate CAS Name: phenoxybenzene; 2-sulfobutanedioate IUPAC Name: phenoxybenzene; 2-sulfobutanedioate Traditional Name: phenoxybenzene; 2-sulfosuccinate Formula: C16H14O8S-2 MolecularWeight: 366.34256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C12H10O.C4H6O7S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2(4(7)8)12(9,10)11/h1-10H;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2