4-chloranyl-2-(phenylmethyl)phenolate; triphenyl(propyl)phosphanium

Systemtic Name: 4-chloranyl-2-(phenylmethyl)phenolate; triphenyl(propyl)phosphanium Openeye Name: 2-benzyl-4-chloro-phenolate; triphenyl(propyl)phosphonium CAS Name: 4-chloro-2-(phenylmethyl)phenolate; triphenyl(propyl)phosphonium IUPAC Name: 2-benzyl-4-chlorophenolate; triphenyl(propyl)phosphanium Traditional Name: 2-benzyl-4-chloro-phenolate; triphenyl(propyl)phosphonium Formula: C34H32ClOP MolecularWeight: 523.044041

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Descriptors Computed from Structure

Canonical SMILES:

CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)[O-]

Isomeric SMILES

CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)[O-]

InChI

InChI=1S/C21H22P.C13H11ClO/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;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h3-17H,2,18H2,1H3;1-7,9,15H,8H2/q+1;/p-1