methyl 6-[4-[11-[4-(5-methoxy-5-oxidanylidene-pentyl)phenyl]undecyl]phenyl]hexanoate

Systemtic Name: methyl 6-[4-[11-[4-(5-methoxy-5-oxidanylidene-pentyl)phenyl]undecyl]phenyl]hexanoate Openeye Name: methyl 6-[4-[11-[4-(5-methoxy-5-oxo-pentyl)phenyl]undecyl]phenyl]hexanoate CAS Name: 6-[4-[11-[4-(5-methoxy-5-oxopentyl)phenyl]undecyl]phenyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-[11-[4-(5-methoxy-5-oxopentyl)phenyl]undecyl]phenyl]hexanoate Traditional Name: 6-[4-[11-[4-(5-keto-5-methoxy-pentyl)phenyl]undecyl]phenyl]hexanoic acid methyl ester Formula: C36H54O4 MolecularWeight: 550.81156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC1=CC=C(C=C1)CCCCCCCCCCCC2=CC=C(C=C2)CCCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCCC1=CC=C(C=C1)CCCCCCCCCCCC2=CC=C(C=C2)CCCCC(=O)OC

InChI

InChI=1S/C36H54O4/c1-39-35(37)21-14-10-13-19-33-25-23-31(24-26-33)17-11-8-6-4-3-5-7-9-12-18-32-27-29-34(30-28-32)20-15-16-22-36(38)40-2/h23-30H,3-22H2,1-2H3