2-methyl-2-[4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]butanedioic acid

Systemtic Name: 2-methyl-2-[4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]butanedioic acid Openeye Name: 2-(4-isobutyl-2-oxo-cyclohex-3-en-1-yl)-2-methyl-butanedioic acid CAS Name: 2-methyl-2-[4-(2-methylpropyl)-2-oxo-1-cyclohex-3-enyl]butanedioic acid IUPAC Name: 2-methyl-2-[4-(2-methylpropyl)-2-oxocyclohex-3-en-1-yl]butanedioic acid Traditional Name: 2-(4-isobutyl-2-keto-cyclohex-3-en-1-yl)-2-methyl-succinic acid Formula: C15H22O5 MolecularWeight: 282.33218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=O)C(CC1)C(C)(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=O)C(CC1)C(C)(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H22O5/c1-9(2)6-10-4-5-11(12(16)7-10)15(3,14(19)20)8-13(17)18/h7,9,11H,4-6,8H2,1-3H3,(H,17,18)(H,19,20)