phenyl 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium

Systemtic Name: phenyl 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Openeye Name: phenyl 4-methylbenzenesulfonate; triphenyl(propyl)phosphonium CAS Name: 4-methylbenzenesulfonic acid phenyl ester; triphenyl(propyl)phosphonium IUPAC Name: phenyl 4-methylbenzenesulfonate; triphenyl(propyl)phosphanium Traditional Name: 4-methylbenzenesulfonic acid phenyl ester; triphenyl(propyl)phosphonium Formula: C34H34O3PS+ MolecularWeight: 553.670721

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Descriptors Computed from Structure

Canonical SMILES:

CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H22P.C13H12O3S/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h3-17H,2,18H2,1H3;2-10H,1H3/q+1;