2-methyl-3-[(2-methylphenyl)-(2-methyl-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 2-methyl-3-[(2-methylphenyl)-(2-methyl-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid Openeye Name: 2-methyl-3-[(2-methyl-3-sulfo-phenyl)-(o-tolyl)phosphanyl]benzenesulfonic acid CAS Name: 2-methyl-3-[(2-methylphenyl)-(2-methyl-3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 2-methyl-3-[(2-methylphenyl)-(2-methyl-3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 2-methyl-3-[(2-methyl-3-sulfo-phenyl)-(o-tolyl)phosphino]besylic acid Formula: C21H21O6PS2 MolecularWeight: 464.491601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1P(C2=C(C(=CC=C2)S(=O)(=O)O)C)C3=C(C(=CC=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1P(C2=C(C(=CC=C2)S(=O)(=O)O)C)C3=C(C(=CC=C3)S(=O)(=O)O)C

InChI

InChI=1S/C21H21O6PS2/c1-14-8-4-5-9-17(14)28(18-10-6-12-20(15(18)2)29(22,23)24)19-11-7-13-21(16(19)3)30(25,26)27/h4-13H,1-3H3,(H,22,23,24)(H,25,26,27)