4-chloranyl-3-methyl-phenolate; triphenyl(propyl)phosphanium

Systemtic Name: 4-chloranyl-3-methyl-phenolate; triphenyl(propyl)phosphanium Openeye Name: 4-chloro-3-methyl-phenolate; triphenyl(propyl)phosphonium CAS Name: 4-chloro-3-methylphenolate; triphenyl(propyl)phosphonium IUPAC Name: 4-chloro-3-methylphenolate; triphenyl(propyl)phosphanium Traditional Name: 4-chloro-3-methyl-phenolate; triphenyl(propyl)phosphonium Formula: C28H28ClOP MolecularWeight: 446.948081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22P.C7H7ClO/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;1-5-4-6(9)2-3-7(5)8/h3-17H,2,18H2,1H3;2-4,9H,1H3/q+1;/p-1