[4-(1-hexoxyethyl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-(1-hexoxyethyl)phenyl] 4-hexylbenzoate Openeye Name: [4-(1-hexoxyethyl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(1-hexoxyethyl)phenyl] ester IUPAC Name: [4-(1-hexoxyethyl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(1-hexoxyethyl)phenyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O3/c1-4-6-8-10-12-23-13-15-25(16-14-23)27(28)30-26-19-17-24(18-20-26)22(3)29-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3