(2-octan-4-ylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-heptoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-heptoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-heptoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-heptoxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C36H48O3 MolecularWeight: 528.76452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

Isomeric SMILES

CCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

InChI

InChI=1S/C36H48O3/c1-5-8-10-11-14-27-38-28(4)29-19-21-30(22-20-29)31-23-25-33(26-24-31)36(37)39-35-18-13-12-17-34(35)32(15-7-3)16-9-6-2/h12-13,17-26,28,32H,5-11,14-16,27H2,1-4H3