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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)P(C2=CC=CC=C2C)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)P(C2=CC=CC=C2C)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)21-14-18(26(22,23)24)13-12-17(21)3/h4-14H,1-3H3,(H,22,23,24)