octan-2-yl 4-[4-hexyl-2-(phenylcarbonyloxy)phenyl]benzoate

Systemtic Name: octan-2-yl 4-[4-hexyl-2-(phenylcarbonyloxy)phenyl]benzoate Openeye Name: 1-methylheptyl 4-(2-benzoyloxy-4-hexyl-phenyl)benzoate CAS Name: 4-(2-benzoyloxy-4-hexylphenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(2-benzoyloxy-4-hexylphenyl)benzoate Traditional Name: 4-(2-benzoyloxy-4-hexyl-phenyl)benzoic acid 1-methylheptyl ester Formula: C34H42O4 MolecularWeight: 514.69488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C34H42O4/c1-4-6-8-11-15-26(3)37-33(35)30-22-20-28(21-23-30)31-24-19-27(16-12-9-7-5-2)25-32(31)38-34(36)29-17-13-10-14-18-29/h10,13-14,17-26H,4-9,11-12,15-16H2,1-3H3