[4,4-dimethyl-3-(oxan-2-yloxy)-5-oxidanylidene-heptyl] benzoate

Systemtic Name: [4,4-dimethyl-3-(oxan-2-yloxy)-5-oxidanylidene-heptyl] benzoate Openeye Name: (4,4-dimethyl-5-oxo-3-tetrahydropyran-2-yloxy-heptyl) benzoate CAS Name: benzoic acid [4,4-dimethyl-3-(2-oxanyloxy)-5-oxoheptyl] ester IUPAC Name: [4,4-dimethyl-3-(oxan-2-yloxy)-5-oxoheptyl] benzoate Traditional Name: benzoic acid (5-keto-4,4-dimethyl-3-tetrahydropyran-2-yloxy-heptyl) ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(CCOC(=O)C1=CC=CC=C1)OC2CCCCO2

Isomeric SMILES

CCC(=O)C(C)(C)C(CCOC(=O)C1=CC=CC=C1)OC2CCCCO2

InChI

InChI=1S/C21H30O5/c1-4-17(22)21(2,3)18(26-19-12-8-9-14-24-19)13-15-25-20(23)16-10-6-5-7-11-16/h5-7,10-11,18-19H,4,8-9,12-15H2,1-3H3