4-octylphenolate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: 4-octylphenolate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 4-octylphenolate CAS Name: 4-octylphenolate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 4-octylphenolate Traditional Name: benzyl(triphenyl)phosphonium; 4-octylphenolate Formula: C39H43OP MolecularWeight: 558.731881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22P.C14H22O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h1-20H,21H2;9-12,15H,2-8H2,1H3/q+1;/p-1