[4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-methyl-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-methyl-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-methyl-benzoate CAS Name: 4-hexyl-3-methylbenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-hexyl-3-methylbenzoate Traditional Name: 4-hexyl-3-methyl-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C35H44O4 MolecularWeight: 528.72146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C

InChI

InChI=1S/C35H44O4/c1-4-6-8-10-11-13-25-38-34(36)31-18-16-29(17-19-31)30-21-23-33(24-22-30)39-35(37)32-20-15-28(27(3)26-32)14-12-9-7-5-2/h15-24,26H,4-14,25H2,1-3H3