3-(3-sulfophenyl)carbonylbenzenesulfonic acid

Systemtic Name: 3-(3-sulfophenyl)carbonylbenzenesulfonic acid Openeye Name: 3-(3-sulfobenzoyl)benzenesulfonic acid CAS Name: 3-[oxo-(3-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 3-(3-sulfobenzoyl)benzenesulfonic acid Traditional Name: 3-(3-sulfobenzoyl)besylic acid Formula: C13H10O7S2 MolecularWeight: 342.3443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H10O7S2/c14-13(9-3-1-5-11(7-9)21(15,16)17)10-4-2-6-12(8-10)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)