2-methyl-5-[(4-methylphenyl)-(4-methyl-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 2-methyl-5-[(4-methylphenyl)-(4-methyl-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid Openeye Name: 2-methyl-5-[(4-methyl-3-sulfo-phenyl)-(p-tolyl)phosphanyl]benzenesulfonic acid CAS Name: 2-methyl-5-[(4-methylphenyl)-(4-methyl-3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 2-methyl-5-[(4-methylphenyl)-(4-methyl-3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 2-methyl-5-[(4-methyl-3-sulfo-phenyl)-(p-tolyl)phosphino]besylic acid Formula: C21H21O6PS2 MolecularWeight: 464.491601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)P(C2=CC(=C(C=C2)C)S(=O)(=O)O)C3=CC(=C(C=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)P(C2=CC(=C(C=C2)C)S(=O)(=O)O)C3=CC(=C(C=C3)C)S(=O)(=O)O

InChI

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