4-methylbenzenesulfonate; phenethyl(triphenyl)phosphanium

Systemtic Name: 4-methylbenzenesulfonate; phenethyl(triphenyl)phosphanium Openeye Name: 4-methylbenzenesulfonate; phenethyl(triphenyl)phosphonium CAS Name: 4-methylbenzenesulfonate; phenethyl(triphenyl)phosphonium IUPAC Name: 4-methylbenzenesulfonate; phenethyl(triphenyl)phosphanium Traditional Name: phenethyl(triphenyl)phosphonium tosylate Formula: C33H31O3PS MolecularWeight: 538.636201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24P.C7H8O3S/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-6-2-4-7(5-3-6)11(8,9)10/h1-20H,21-22H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1