3-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propyl-triphenyl-phosphanium; methanesulfonate

Systemtic Name: 3-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propyl-triphenyl-phosphanium; methanesulfonate Openeye Name: 3-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)propyl-triphenyl-phosphonium; methanesulfonate CAS Name: 3-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)propyl-triphenylphosphonium; methanesulfonate IUPAC Name: 3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propyl-triphenylphosphanium; methanesulfonate Traditional Name: 3-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)propyl-triphenyl-phosphonium mesylate Formula: C31H33O7PS MolecularWeight: 580.628281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]

InChI

InChI=1S/C30H30O4P.CH4O3S/c1-22-26(28(32)30(34-3)29(33-2)27(22)31)20-13-21-35(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25;1-5(2,3)4/h4-12,14-19H,13,20-21H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1