[4-(4-octan-2-yloxyphenyl)phenyl] benzoate

Systemtic Name: [4-(4-octan-2-yloxyphenyl)phenyl] benzoate Openeye Name: [4-[4-(1-methylheptoxy)phenyl]phenyl] benzoate CAS Name: benzoic acid [4-(4-octan-2-yloxyphenyl)phenyl] ester IUPAC Name: [4-(4-octan-2-yloxyphenyl)phenyl] benzoate Traditional Name: benzoic acid [4-[4-(1-methylheptoxy)phenyl]phenyl] ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H30O3/c1-3-4-5-7-10-21(2)29-25-17-13-22(14-18-25)23-15-19-26(20-16-23)30-27(28)24-11-8-6-9-12-24/h6,8-9,11-21H,3-5,7,10H2,1-2H3