octan-2-yl 4-(4-hexylphenyl)benzoate

Systemtic Name: octan-2-yl 4-(4-hexylphenyl)benzoate Openeye Name: 1-methylheptyl 4-(4-hexylphenyl)benzoate CAS Name: 4-(4-hexylphenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(4-hexylphenyl)benzoate Traditional Name: 4-(4-hexylphenyl)benzoic acid 1-methylheptyl ester Formula: C27H38O2 MolecularWeight: 394.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C27H38O2/c1-4-6-8-10-12-22(3)29-27(28)26-20-18-25(19-21-26)24-16-14-23(15-17-24)13-11-9-7-5-2/h14-22H,4-13H2,1-3H3