1-[4-(4-heptylphenyl)phenyl]ethyl 3-methylhexanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 3-methylhexanoate Openeye Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 3-methylhexanoate CAS Name: 3-methylhexanoic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 3-methylhexanoate Traditional Name: 3-methylhexanoic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester Formula: C28H40O2 MolecularWeight: 408.616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CC(C)CCC

InChI

InChI=1S/C28H40O2/c1-5-7-8-9-10-12-24-13-15-26(16-14-24)27-19-17-25(18-20-27)23(4)30-28(29)21-22(3)11-6-2/h13-20,22-23H,5-12,21H2,1-4H3