1-[4-(4-octylphenyl)phenyl]ethyl 5-methylheptanoate

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]ethyl 5-methylheptanoate Openeye Name: 1-[4-(4-octylphenyl)phenyl]ethyl 5-methylheptanoate CAS Name: 5-methylheptanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octylphenyl)phenyl]ethyl 5-methylheptanoate Traditional Name: 5-methylenanthic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester Formula: C30H44O2 MolecularWeight: 436.66916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC

InChI

InChI=1S/C30H44O2/c1-5-7-8-9-10-11-14-26-16-18-28(19-17-26)29-22-20-27(21-23-29)25(4)32-30(31)15-12-13-24(3)6-2/h16-25H,5-15H2,1-4H3