3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid Openeye Name: 3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid CAS Name: 3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid IUPAC Name: 3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid Traditional Name: 3-[4-(3-carboxyphenyl)sulfonylphenyl]sulfonylbenzoic acid Formula: C20H14O8S2 MolecularWeight: 446.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H14O8S2/c21-19(22)13-3-1-5-17(11-13)29(25,26)15-7-9-16(10-8-15)30(27,28)18-6-2-4-14(12-18)20(23)24/h1-12H,(H,21,22)(H,23,24)