7-hexan-2-yl-3,8-dimethyl-6-oxidanyl-5-oxidanylidene-8-(3-oxidanylidenepropanoyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid

Systemtic Name: 7-hexan-2-yl-3,8-dimethyl-6-oxidanyl-5-oxidanylidene-8-(3-oxidanylidenepropanoyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Openeye Name: 6-hydroxy-3,8-dimethyl-7-(1-methylpentyl)-5-oxo-8-(3-oxopropanoyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid CAS Name: 8-(1,3-dioxopropyl)-7-hexan-2-yl-6-hydroxy-3,8-dimethyl-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid IUPAC Name: 7-hexan-2-yl-6-hydroxy-3,8-dimethyl-5-oxo-8-(3-oxopropanoyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Traditional Name: 6-hydroxy-5-keto-8-(3-ketopropanoyl)-3,8-dimethyl-7-(1-methylpentyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=C(C(=O)C2CC(CC(C2C1(C)C(=O)CC=O)C(=O)O)C)O

Isomeric SMILES

CCCCC(C)C1=C(C(=O)C2CC(CC(C2C1(C)C(=O)CC=O)C(=O)O)C)O

InChI

InChI=1S/C22H32O6/c1-5-6-7-13(3)17-20(26)19(25)14-10-12(2)11-15(21(27)28)18(14)22(17,4)16(24)8-9-23/h9,12-15,18,26H,5-8,10-11H2,1-4H3,(H,27,28)