(4-octan-2-yloxycarbonylphenyl) 4-(4-octylphenyl)benzoate

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 4-(4-octylphenyl)benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C36H46O4/c1-4-6-8-10-11-13-15-29-16-18-30(19-17-29)31-20-22-32(23-21-31)36(38)40-34-26-24-33(25-27-34)35(37)39-28(3)14-12-9-7-5-2/h16-28H,4-15H2,1-3H3