4-oxidanylidene-4-[[2,5,7,8-tetramethyl-2-(11-triphenylphosphaniumylundecyl)-3,4-dihydrochromen-6-yl]oxy]butanoate

Systemtic Name: 4-oxidanylidene-4-[[2,5,7,8-tetramethyl-2-(11-triphenylphosphaniumylundecyl)-3,4-dihydrochromen-6-yl]oxy]butanoate Openeye Name: 4-oxo-4-[2,5,7,8-tetramethyl-2-(11-triphenylphosphaniumylundecyl)chroman-6-yl]oxy-butanoate CAS Name: 4-oxo-4-[[2,5,7,8-tetramethyl-2-(11-triphenylphosphiniumylundecyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]butanoate IUPAC Name: 4-oxo-4-[[2,5,7,8-tetramethyl-2-(11-triphenylphosphaniumylundecyl)-3,4-dihydrochromen-6-yl]oxy]butanoate Traditional Name: 4-keto-4-[2,5,7,8-tetramethyl-2-(11-triphenylphosphiniumylundecyl)chroman-6-yl]oxy-butyrate Formula: C46H57O5P MolecularWeight: 720.915541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)[O-])C)CCC(O2)(C)CCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)[O-])C)CCC(O2)(C)CCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C46H57O5P/c1-35-36(2)45-41(37(3)44(35)50-43(49)30-29-42(47)48)31-33-46(4,51-45)32-21-10-8-6-5-7-9-11-22-34-52(38-23-15-12-16-24-38,39-25-17-13-18-26-39)40-27-19-14-20-28-40/h12-20,23-28H,5-11,21-22,29-34H2,1-4H3