[4-(5-hexyl-2-oxidanylidene-oxolan-3-yl)phenyl] 2-octan-4-yloxybenzoate

Systemtic Name: [4-(5-hexyl-2-oxidanylidene-oxolan-3-yl)phenyl] 2-octan-4-yloxybenzoate Openeye Name: [4-(5-hexyl-2-oxo-tetrahydrofuran-3-yl)phenyl] 2-(1-propylpentoxy)benzoate CAS Name: 2-octan-4-yloxybenzoic acid [4-(5-hexyl-2-oxo-3-oxolanyl)phenyl] ester IUPAC Name: [4-(5-hexyl-2-oxooxolan-3-yl)phenyl] 2-octan-4-yloxybenzoate Traditional Name: 2-(1-propylpentoxy)benzoic acid [4-(5-hexyl-2-keto-tetrahydrofuran-3-yl)phenyl] ester Formula: C31H42O5 MolecularWeight: 494.66218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(=O)O1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3OC(CCC)CCCC

Isomeric SMILES

CCCCCCC1CC(C(=O)O1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3OC(CCC)CCCC

InChI

InChI=1S/C31H42O5/c1-4-7-9-10-15-26-22-28(31(33)36-26)23-18-20-25(21-19-23)35-30(32)27-16-11-12-17-29(27)34-24(13-6-3)14-8-5-2/h11-12,16-21,24,26,28H,4-10,13-15,22H2,1-3H3