[4-(1-heptoxyethyl)phenyl] 4-butylbenzoate

Systemtic Name: [4-(1-heptoxyethyl)phenyl] 4-butylbenzoate Openeye Name: [4-(1-heptoxyethyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(1-heptoxyethyl)phenyl] ester IUPAC Name: [4-(1-heptoxyethyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(1-heptoxyethyl)phenyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36O3/c1-4-6-8-9-10-20-28-21(3)23-16-18-25(19-17-23)29-26(27)24-14-12-22(13-15-24)11-7-5-2/h12-19,21H,4-11,20H2,1-3H3