4-chloranyl-3,5-dimethyl-phenolate; ethyl(triphenyl)phosphanium

Systemtic Name: 4-chloranyl-3,5-dimethyl-phenolate; ethyl(triphenyl)phosphanium Openeye Name: 4-chloro-3,5-dimethyl-phenolate; ethyl(triphenyl)phosphonium CAS Name: 4-chloro-3,5-dimethylphenolate; ethyl(triphenyl)phosphonium IUPAC Name: 4-chloro-3,5-dimethylphenolate; ethyl(triphenyl)phosphanium Traditional Name: 4-chloro-3,5-dimethyl-phenolate; ethyl(triphenyl)phosphonium Formula: C28H28ClOP MolecularWeight: 446.948081

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Descriptors Computed from Structure

Canonical SMILES:

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=CC(=C1Cl)C)[O-]

Isomeric SMILES

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=CC(=C1Cl)C)[O-]

InChI

InChI=1S/C20H20P.C8H9ClO/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-3-7(10)4-6(2)8(5)9/h3-17H,2H2,1H3;3-4,10H,1-2H3/q+1;/p-1