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

Systemtic Name: 4-chloranyl-2-(phenylmethyl)phenolate; ethyl(triphenyl)phosphanium Openeye Name: 2-benzyl-4-chloro-phenolate; ethyl(triphenyl)phosphonium CAS Name: 4-chloro-2-(phenylmethyl)phenolate; ethyl(triphenyl)phosphonium IUPAC Name: 2-benzyl-4-chlorophenolate; ethyl(triphenyl)phosphanium Traditional Name: 2-benzyl-4-chloro-phenolate; ethyl(triphenyl)phosphonium Formula: C33H30ClOP MolecularWeight: 509.017461

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C20H20P.C13H11ClO/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h3-17H,2H2,1H3;1-7,9,15H,8H2/q+1;/p-1