(2-hexyl-6-oxidanylidene-oxan-3-yl) 3-heptoxy-2-methyl-benzoate

Systemtic Name: (2-hexyl-6-oxidanylidene-oxan-3-yl) 3-heptoxy-2-methyl-benzoate Openeye Name: (2-hexyl-6-oxo-tetrahydropyran-3-yl) 3-heptoxy-2-methyl-benzoate CAS Name: 3-heptoxy-2-methylbenzoic acid (2-hexyl-6-oxo-3-oxanyl) ester IUPAC Name: (2-hexyl-6-oxooxan-3-yl) 3-heptoxy-2-methylbenzoate Traditional Name: 3-heptoxy-2-methyl-benzoic acid (2-hexyl-6-keto-tetrahydropyran-3-yl) ester Formula: C26H40O5 MolecularWeight: 432.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1C)C(=O)OC2CCC(=O)OC2CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1C)C(=O)OC2CCC(=O)OC2CCCCCC

InChI

InChI=1S/C26H40O5/c1-4-6-8-10-12-19-29-22-16-13-14-21(20(22)3)26(28)31-24-17-18-25(27)30-23(24)15-11-9-7-5-2/h13-14,16,23-24H,4-12,15,17-19H2,1-3H3