3-(4-aminophenyl)-4-[2-(4-aminophenyl)-4-carboxy-phenyl]sulfanyl-benzoic acid

Systemtic Name: 3-(4-aminophenyl)-4-[2-(4-aminophenyl)-4-carboxy-phenyl]sulfanyl-benzoic acid Openeye Name: 3-(4-aminophenyl)-4-[2-(4-aminophenyl)-4-carboxy-phenyl]sulfanyl-benzoic acid CAS Name: 3-(4-aminophenyl)-4-[[2-(4-aminophenyl)-4-carboxyphenyl]thio]benzoic acid IUPAC Name: 3-(4-aminophenyl)-4-[2-(4-aminophenyl)-4-carboxyphenyl]sulfanylbenzoic acid Traditional Name: 3-(4-aminophenyl)-4-[[2-(4-aminophenyl)-4-carboxy-phenyl]thio]benzoic acid Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)C(=O)O)SC3=C(C=C(C=C3)C(=O)O)C4=CC=C(C=C4)N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)C(=O)O)SC3=C(C=C(C=C3)C(=O)O)C4=CC=C(C=C4)N)N

InChI

InChI=1S/C26H20N2O4S/c27-19-7-1-15(2-8-19)21-13-17(25(29)30)5-11-23(21)33-24-12-6-18(26(31)32)14-22(24)16-3-9-20(28)10-4-16/h1-14H,27-28H2,(H,29,30)(H,31,32)