6-methylheptyl 4-[(E)-2-[4-(6-methylheptoxycarbonyl)phenyl]ethenyl]benzoate

Systemtic Name: 6-methylheptyl 4-[(E)-2-[4-(6-methylheptoxycarbonyl)phenyl]ethenyl]benzoate Openeye Name: 6-methylheptyl 4-[(E)-2-[4-(6-methylheptoxycarbonyl)phenyl]vinyl]benzoate CAS Name: 4-[(E)-2-[4-[6-methylheptoxy(oxo)methyl]phenyl]ethenyl]benzoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 4-[(E)-2-[4-(6-methylheptoxycarbonyl)phenyl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[4-(6-methylheptoxycarbonyl)phenyl]vinyl]benzoic acid 6-methylheptyl ester Formula: C32H44O4 MolecularWeight: 492.68936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C32H44O4/c1-25(2)11-7-5-9-23-35-31(33)29-19-15-27(16-20-29)13-14-28-17-21-30(22-18-28)32(34)36-24-10-6-8-12-26(3)4/h13-22,25-26H,5-12,23-24H2,1-4H3/b14-13+