3,5-bis[bis(3-methylphenyl)amino]benzenesulfonic acid

Systemtic Name: 3,5-bis[bis(3-methylphenyl)amino]benzenesulfonic acid Openeye Name: 3,5-bis[3-methyl-N-(m-tolyl)anilino]benzenesulfonic acid CAS Name: 3,5-bis(3-methyl-N-(3-methylphenyl)anilino)benzenesulfonic acid IUPAC Name: 3,5-bis(3-methyl-N-(3-methylphenyl)anilino)benzenesulfonic acid Traditional Name: 3,5-bis[3-methyl-N-(m-tolyl)anilino]besylic acid Formula: C34H32N2O3S MolecularWeight: 548.69448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC(=C2)C)C3=CC(=CC(=C3)S(=O)(=O)O)N(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=CC(=C2)C)C3=CC(=CC(=C3)S(=O)(=O)O)N(C4=CC=CC(=C4)C)C5=CC=CC(=C5)C

InChI

InChI=1S/C34H32N2O3S/c1-24-9-5-13-28(17-24)35(29-14-6-10-25(2)18-29)32-21-33(23-34(22-32)40(37,38)39)36(30-15-7-11-26(3)19-30)31-16-8-12-27(4)20-31/h5-23H,1-4H3,(H,37,38,39)