[(Z)-4-[2-(4-butoxy-3-methoxy-phenyl)prop-2-enoylperoxy]-2-methyl-1-oxidanylidene-1-undecoxy-non-2-en-3-yl] benzoate

Systemtic Name: [(Z)-4-[2-(4-butoxy-3-methoxy-phenyl)prop-2-enoylperoxy]-2-methyl-1-oxidanylidene-1-undecoxy-non-2-en-3-yl] benzoate Openeye Name: [(1Z)-2-[2-(4-butoxy-3-methoxy-phenyl)prop-2-enoylperoxy]-1-(1-methyl-2-oxo-2-undecoxy-ethylidene)heptyl] benzoate CAS Name: benzoic acid [(Z)-4-[2-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]dioxy-2-methyl-1-oxo-1-undecoxynon-2-en-3-yl] ester IUPAC Name: [(Z)-4-[2-(4-butoxy-3-methoxyphenyl)prop-2-enoylperoxy]-2-methyl-1-oxo-1-undecoxynon-2-en-3-yl] benzoate Traditional Name: benzoic acid [(Z)-1-[1-[2-(4-butoxy-3-methoxy-phenyl)acryloyl]peroxyhexyl]-3-keto-2-methyl-3-undecoxy-prop-1-enyl] ester Formula: C42H60O9 MolecularWeight: 708.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C(=C(C(CCCCC)OOC(=O)C(=C)C1=CC(=C(C=C1)OCCCC)OC)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCOC(=O)/C(=C(/C(CCCCC)OOC(=O)C(=C)C1=CC(=C(C=C1)OCCCC)OC)\OC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C42H60O9/c1-7-10-13-14-15-16-17-18-23-30-48-40(43)33(5)39(49-42(45)34-24-21-19-22-25-34)37(26-20-11-8-2)50-51-41(44)32(4)35-27-28-36(38(31-35)46-6)47-29-12-9-3/h19,21-22,24-25,27-28,31,37H,4,7-18,20,23,26,29-30H2,1-3,5-6H3/b39-33-