4-chloranyl-3,5-dimethyl-phenolate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: 4-chloranyl-3,5-dimethyl-phenolate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 4-chloro-3,5-dimethyl-phenolate CAS Name: 4-chloro-3,5-dimethylphenolate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 4-chloro-3,5-dimethylphenolate Traditional Name: benzyl(triphenyl)phosphonium; 4-chloro-3,5-dimethyl-phenolate Formula: C33H30ClOP MolecularWeight: 509.017461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22P.C8H9ClO/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;1-5-3-7(10)4-6(2)8(5)9/h1-20H,21H2;3-4,10H,1-2H3/q+1;/p-1