7-hexan-2-yl-3,8-dimethyl-6-oxidanyl-5-oxidanylidene-8-(3-oxidanyl-3-oxidanylidene-propanoyl)-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-oxidanyl-3-oxidanylidene-propanoyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Openeye Name: 6-hydroxy-8-(3-hydroxy-3-oxo-propanoyl)-3,8-dimethyl-7-(1-methylpentyl)-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid CAS Name: 7-hexan-2-yl-6-hydroxy-8-(3-hydroxy-1,3-dioxopropyl)-3,8-dimethyl-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid IUPAC Name: 7-hexan-2-yl-6-hydroxy-8-(3-hydroxy-3-oxopropanoyl)-3,8-dimethyl-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Traditional Name: 6-hydroxy-8-(3-hydroxy-3-keto-propanoyl)-5-keto-3,8-dimethyl-7-(1-methylpentyl)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid Formula: C22H32O7 MolecularWeight: 408.48528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O7/c1-5-6-7-12(3)17-20(27)19(26)13-8-11(2)9-14(21(28)29)18(13)22(17,4)15(23)10-16(24)25/h11-14,18,27H,5-10H2,1-4H3,(H,24,25)(H,28,29)