4-bis(2-methylphenyl)phosphanyl-3-methyl-benzenesulfonic acid

Systemtic Name: 4-bis(2-methylphenyl)phosphanyl-3-methyl-benzenesulfonic acid Openeye Name: 4-(bis-o-tolylphosphanyl)-3-methyl-benzenesulfonic acid CAS Name: 4-bis(2-methylphenyl)phosphino-3-methylbenzenesulfonic acid IUPAC Name: 4-bis(2-methylphenyl)phosphanyl-3-methylbenzenesulfonic acid Traditional Name: 4-(bis-o-tolylphosphino)-3-methyl-besylic acid Formula: C21H21O3PS MolecularWeight: 384.428401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1P(C2=C(C=C(C=C2)S(=O)(=O)O)C)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1P(C2=C(C=C(C=C2)S(=O)(=O)O)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H21O3PS/c1-15-8-4-6-10-19(15)25(20-11-7-5-9-16(20)2)21-13-12-18(14-17(21)3)26(22,23)24/h4-14H,1-3H3,(H,22,23,24)