[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl-triphenyl-phosphanium chloride Openeye Name: (4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl-triphenyl-phosphonium chloride CAS Name: (4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl-triphenylphosphonium chloride IUPAC Name: (4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl-triphenylphosphanium chloride Traditional Name: (3,6-diketo-4-methoxy-cyclohexa-1,4-dien-1-yl)methyl-triphenyl-phosphonium chloride Formula: C26H22ClO3P MolecularWeight: 448.877841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=CC1=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC(=O)C(=CC1=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H22O3P.ClH/c1-29-26-18-24(27)20(17-25(26)28)19-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1