[4-[(2S)-2-methylbutyl]phenyl] 4-octoxybenzoate

Systemtic Name: [4-[(2S)-2-methylbutyl]phenyl] 4-octoxybenzoate Openeye Name: [4-[(2S)-2-methylbutyl]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutyl]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C[C@@H](C)CC

InChI

InChI=1S/C26H36O3/c1-4-6-7-8-9-10-19-28-24-17-13-23(14-18-24)26(27)29-25-15-11-22(12-16-25)20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1