2,3,5,6-tetrakis(chloranyl)phenolate; triphenyl(propyl)phosphanium

Systemtic Name: 2,3,5,6-tetrakis(chloranyl)phenolate; triphenyl(propyl)phosphanium Openeye Name: 2,3,5,6-tetrachlorophenolate; triphenyl(propyl)phosphonium CAS Name: 2,3,5,6-tetrachlorophenolate; triphenyl(propyl)phosphonium IUPAC Name: 2,3,5,6-tetrachlorophenolate; triphenyl(propyl)phosphanium Traditional Name: 2,3,5,6-tetrachlorophenolate; triphenyl(propyl)phosphonium Formula: C27H23Cl4OP MolecularWeight: 536.256681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22P.C6H2Cl4O/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;7-2-1-3(8)5(10)6(11)4(2)9/h3-17H,2,18H2,1H3;1,11H/q+1;/p-1