11-[(E)-3-methoxy-9-[4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxy-2-methyl-non-2-enoyl]oxyundecyl benzoate

Systemtic Name: 11-[(E)-3-methoxy-9-[4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxy-2-methyl-non-2-enoyl]oxyundecyl benzoate Openeye Name: 11-[(E)-3-methoxy-9-[4-(1-methoxycarbonylvinyl)phenyl]peroxy-2-methyl-non-2-enoyl]oxyundecyl benzoate CAS Name: benzoic acid 11-[(E)-3-methoxy-9-[4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]dioxy-2-methyl-1-oxonon-2-enoxy]undecyl ester IUPAC Name: 11-[(E)-3-methoxy-9-[4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]peroxy-2-methylnon-2-enoyl]oxyundecyl benzoate Traditional Name: benzoic acid 11-[(E)-9-[4-(1-carbomethoxyvinyl)phenyl]peroxy-3-methoxy-2-methyl-non-2-enoyl]oxyundecyl ester Formula: C39H54O9 MolecularWeight: 666.84066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCCCCCOOC1=CC=C(C=C1)C(=C)C(=O)OC)OC)C(=O)OCCCCCCCCCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C(/CCCCCCOOC1=CC=C(C=C1)C(=C)C(=O)OC)\OC)/C(=O)OCCCCCCCCCCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H54O9/c1-31(37(40)44-4)33-24-26-35(27-25-33)48-47-30-20-13-10-17-23-36(43-3)32(2)38(41)45-28-18-11-8-6-5-7-9-12-19-29-46-39(42)34-21-15-14-16-22-34/h14-16,21-22,24-27H,1,5-13,17-20,23,28-30H2,2-4H3/b36-32+