1-[4-(4-hexylphenyl)phenyl]ethyl 6-methylnonanoate

Systemtic Name: 1-[4-(4-hexylphenyl)phenyl]ethyl 6-methylnonanoate Openeye Name: 1-[4-(4-hexylphenyl)phenyl]ethyl 6-methylnonanoate CAS Name: 6-methylnonanoic acid 1-[4-(4-hexylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-hexylphenyl)phenyl]ethyl 6-methylnonanoate Traditional Name: 6-methylpelargonic acid 1-[4-(4-hexylphenyl)phenyl]ethyl ester Formula: C30H44O2 MolecularWeight: 436.66916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC(C)CCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC(C)CCC

InChI

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