4-hexyl-2-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid

Systemtic Name: 4-hexyl-2-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid Openeye Name: 2-tert-butoxy-4-hexyl-5-oxo-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid CAS Name: 4-hexyl-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-7-carboxylic acid IUPAC Name: 4-hexyl-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid Traditional Name: 2-tert-butoxy-4-hexyl-5-keto-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid Formula: C20H32O5 MolecularWeight: 352.46508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC2=C1C(=O)CC(C2)C(=O)O)OC(C)(C)C

Isomeric SMILES

CCCCCCC1CC(OC2=C1C(=O)CC(C2)C(=O)O)OC(C)(C)C

InChI

InChI=1S/C20H32O5/c1-5-6-7-8-9-13-12-17(25-20(2,3)4)24-16-11-14(19(22)23)10-15(21)18(13)16/h13-14,17H,5-12H2,1-4H3,(H,22,23)