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

Systemtic Name: 4-chloranyl-2-cyclohexyl-phenolate; triphenyl(propyl)phosphanium Openeye Name: 4-chloro-2-cyclohexyl-phenolate; triphenyl(propyl)phosphonium CAS Name: 4-chloro-2-cyclohexylphenolate; triphenyl(propyl)phosphonium IUPAC Name: 4-chloro-2-cyclohexylphenolate; triphenyl(propyl)phosphanium Traditional Name: 4-chloro-2-cyclohexyl-phenolate; triphenyl(propyl)phosphonium Formula: C33H36ClOP MolecularWeight: 515.065101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[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/C21H22P.C12H15ClO/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;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h3-17H,2,18H2,1H3;6-9,14H,1-5H2/q+1;/p-1