1-(4-octylphenyl)ethyl 4-(2-methylheptoxy)benzoate

Systemtic Name: 1-(4-octylphenyl)ethyl 4-(2-methylheptoxy)benzoate Openeye Name: 1-(4-octylphenyl)ethyl 4-(2-methylheptoxy)benzoate CAS Name: 4-(2-methylheptoxy)benzoic acid 1-(4-octylphenyl)ethyl ester IUPAC Name: 1-(4-octylphenyl)ethyl 4-(2-methylheptoxy)benzoate Traditional Name: 4-(2-methylheptoxy)benzoic acid 1-(4-octylphenyl)ethyl ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C)OC(=O)C2=CC=C(C=C2)OCC(C)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C)OC(=O)C2=CC=C(C=C2)OCC(C)CCCCC

InChI

InChI=1S/C31H46O3/c1-5-7-9-10-11-13-15-27-16-18-28(19-17-27)26(4)34-31(32)29-20-22-30(23-21-29)33-24-25(3)14-12-8-6-2/h16-23,25-26H,5-15,24H2,1-4H3