hexan-2-yl 4-(4-octoxyphenyl)benzoate

Systemtic Name: hexan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: 1-methylpentyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 1-methylpentyl ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCC

InChI

InChI=1S/C27H38O3/c1-4-6-8-9-10-11-21-29-26-19-17-24(18-20-26)23-13-15-25(16-14-23)27(28)30-22(3)12-7-5-2/h13-20,22H,4-12,21H2,1-3H3