11-[(E)-4-(4-butoxy-3-methoxy-phenyl)-2-methyl-9-prop-2-enoylperoxy-non-2-enoyl]oxyundecyl benzoate

Systemtic Name: 11-[(E)-4-(4-butoxy-3-methoxy-phenyl)-2-methyl-9-prop-2-enoylperoxy-non-2-enoyl]oxyundecyl benzoate Openeye Name: 11-[(E)-4-(4-butoxy-3-methoxy-phenyl)-2-methyl-9-prop-2-enoylperoxy-non-2-enoyl]oxyundecyl benzoate CAS Name: benzoic acid 11-[(E)-4-(4-butoxy-3-methoxyphenyl)-2-methyl-1-oxo-9-(1-oxoprop-2-enyldioxy)non-2-enoxy]undecyl ester IUPAC Name: 11-[(E)-4-(4-butoxy-3-methoxyphenyl)-2-methyl-9-prop-2-enoylperoxynon-2-enoyl]oxyundecyl benzoate Traditional Name: benzoic acid 11-[(E)-9-acryloylperoxy-4-(4-butoxy-3-methoxy-phenyl)-2-methyl-non-2-enoyl]oxyundecyl ester Formula: C42H60O9 MolecularWeight: 708.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(CCCCCOOC(=O)C=C)C=C(C)C(=O)OCCCCCCCCCCCOC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(CCCCCOOC(=O)C=C)/C=C(\C)/C(=O)OCCCCCCCCCCCOC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C42H60O9/c1-5-7-28-47-38-27-26-37(33-39(38)46-4)36(25-19-16-22-31-50-51-40(43)6-2)32-34(3)41(44)48-29-20-13-11-9-8-10-12-14-21-30-49-42(45)35-23-17-15-18-24-35/h6,15,17-18,23-24,26-27,32-33,36H,2,5,7-14,16,19-22,25,28-31H2,1,3-4H3/b34-32+