[4-(3-oxidanyloctanoyl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-(3-oxidanyloctanoyl)phenyl] 4-hexylbenzoate Openeye Name: [4-(3-hydroxyoctanoyl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(3-hydroxy-1-oxooctyl)phenyl] ester IUPAC Name: [4-(3-hydroxyoctanoyl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(3-hydroxyoctanoyl)phenyl] ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CC(CCCCC)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CC(CCCCC)O

InChI

InChI=1S/C27H36O4/c1-3-5-7-9-10-21-12-14-23(15-13-21)27(30)31-25-18-16-22(17-19-25)26(29)20-24(28)11-8-6-4-2/h12-19,24,28H,3-11,20H2,1-2H3