[4-[4-(3-methylpentyl)phenyl]phenyl] 4-octoxybenzoate

Systemtic Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octoxybenzoate Openeye Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(3-methylpentyl)phenyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[4-(3-methylpentyl)phenyl]phenyl] ester Formula: C33H42O3 MolecularWeight: 486.68478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC(C)CC

InChI

InChI=1S/C33H42O3/c1-4-6-7-8-9-10-25-35-31-21-19-30(20-22-31)33(34)36-32-23-17-29(18-24-32)28-15-13-27(14-16-28)12-11-26(3)5-2/h13-24,26H,4-12,25H2,1-3H3