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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCCCCOOC1=C(C=C(C=C1)C(=C)C(=O)OC)OC)C(=O)OCCCCCCCCCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C39H54O9/c1-31(22-16-11-10-14-21-29-47-48-35-26-25-34(30-36(35)43-3)32(2)38(41)44-4)37(40)45-27-19-12-8-6-5-7-9-13-20-28-46-39(42)33-23-17-15-18-24-33/h15,17-18,22-26,30H,2,5-14,16,19-21,27-29H2,1,3-4H3/b31-22+