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

Systemtic Name: 4-chloranyl-2-cyclohexyl-phenolate; ethyl(triphenyl)phosphanium Openeye Name: 4-chloro-2-cyclohexyl-phenolate; ethyl(triphenyl)phosphonium CAS Name: 4-chloro-2-cyclohexylphenolate; ethyl(triphenyl)phosphonium IUPAC Name: 4-chloro-2-cyclohexylphenolate; ethyl(triphenyl)phosphanium Traditional Name: 4-chloro-2-cyclohexyl-phenolate; ethyl(triphenyl)phosphonium Formula: C32H34ClOP MolecularWeight: 501.038521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]

Isomeric SMILES

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]

InChI

InChI=1S/C20H20P.C12H15ClO/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h3-17H,2H2,1H3;6-9,14H,1-5H2/q+1;/p-1