[(3S,6R)-6-hexyl-2-oxidanylidene-oxan-3-yl] 2-octan-4-yloxybenzoate

Systemtic Name: [(3S,6R)-6-hexyl-2-oxidanylidene-oxan-3-yl] 2-octan-4-yloxybenzoate Openeye Name: [(3S,6R)-6-hexyl-2-oxo-tetrahydropyran-3-yl] 2-(1-propylpentoxy)benzoate CAS Name: 2-octan-4-yloxybenzoic acid [(3S,6R)-6-hexyl-2-oxo-3-oxanyl] ester IUPAC Name: [(3S,6R)-6-hexyl-2-oxooxan-3-yl] 2-octan-4-yloxybenzoate Traditional Name: 2-(1-propylpentoxy)benzoic acid [(3S,6R)-6-hexyl-2-keto-tetrahydropyran-3-yl] ester Formula: C26H40O5 MolecularWeight: 432.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C(=O)O1)OC(=O)C2=CC=CC=C2OC(CCC)CCCC

Isomeric SMILES

CCCCCC[C@@H]1CC[C@@H](C(=O)O1)OC(=O)C2=CC=CC=C2OC(CCC)CCCC

InChI

InChI=1S/C26H40O5/c1-4-7-9-10-15-21-18-19-24(26(28)30-21)31-25(27)22-16-11-12-17-23(22)29-20(13-6-3)14-8-5-2/h11-12,16-17,20-21,24H,4-10,13-15,18-19H2,1-3H3/t20?,21-,24+/m1/s1