4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenyl-phenyl)sulfonylphenoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenyl-phenyl)sulfonylphenoxy]phenyl]benzoic acid Openeye Name: 4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenyl-phenyl)sulfonylphenoxy]phenyl]benzoic acid CAS Name: 4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenylphenyl)sulfonylphenoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenylphenyl)sulfonylphenoxy]phenyl]benzoic acid Traditional Name: 4-[4-[4-(6-carboxyoxy-2-phenoxy-3-phenyl-phenyl)sulfonylphenoxy]phenyl]benzoic acid Formula: C38H26O9S MolecularWeight: 658.67264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)OC6=CC=CC=C6

InChI

InChI=1S/C38H26O9S/c39-37(40)28-13-11-25(12-14-28)26-15-17-30(18-16-26)45-31-19-21-32(22-20-31)48(43,44)36-34(47-38(41)42)24-23-33(27-7-3-1-4-8-27)35(36)46-29-9-5-2-6-10-29/h1-24H,(H,39,40)(H,41,42)