3-bis(2-methylphenyl)phosphanyl-4-methyl-benzenesulfonate; triethylazanium

Systemtic Name: 3-bis(2-methylphenyl)phosphanyl-4-methyl-benzenesulfonate; triethylazanium Openeye Name: 3-(bis-o-tolylphosphanyl)-4-methyl-benzenesulfonate; triethylammonium CAS Name: 3-bis(2-methylphenyl)phosphino-4-methylbenzenesulfonate; triethylammonium IUPAC Name: 3-bis(2-methylphenyl)phosphanyl-4-methylbenzenesulfonate; triethylazanium Traditional Name: 3-(bis-o-tolylphosphino)-4-methyl-besylate; triethylammonium Formula: C27H36NO3PS MolecularWeight: 485.618401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC1=C(C=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2C)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CC)CC.CC1=C(C=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2C)C3=CC=CC=C3C

InChI

InChI=1S/C21H21O3PS.C6H15N/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;1-4-7(5-2)6-3/h4-14H,1-3H3,(H,22,23,24);4-6H2,1-3H3