10-[5-methoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]decyl-triphenyl-phosphanium

Systemtic Name: 10-[5-methoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]decyl-triphenyl-phosphanium Openeye Name: 10-(5-methoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)decyl-triphenyl-phosphonium CAS Name: 10-(5-methoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)decyl-triphenylphosphonium IUPAC Name: 10-(5-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium Traditional Name: 10-(3,6-diketo-5-methoxy-2-methyl-cyclohexa-1,4-dien-1-yl)decyl-triphenyl-phosphonium Formula: C36H42O3P+ MolecularWeight: 553.690641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=O)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C(=CC1=O)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H42O3P/c1-29-33(36(38)35(39-2)28-34(29)37)26-18-7-5-3-4-6-8-19-27-40(30-20-12-9-13-21-30,31-22-14-10-15-23-31)32-24-16-11-17-25-32/h9-17,20-25,28H,3-8,18-19,26-27H2,1-2H3/q+1