2-methylbutyl 4-(4-heptoxyphenyl)benzoate

Systemtic Name: 2-methylbutyl 4-(4-heptoxyphenyl)benzoate Openeye Name: 2-methylbutyl 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid 2-methylbutyl ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C25H34O3/c1-4-6-7-8-9-18-27-24-16-14-22(15-17-24)21-10-12-23(13-11-21)25(26)28-19-20(3)5-2/h10-17,20H,4-9,18-19H2,1-3H3