2,2-bis(5-methyl-2-propan-2-yl-cyclohexyl)-3-oxidanylidene-pentanedioate

Systemtic Name: 2,2-bis(5-methyl-2-propan-2-yl-cyclohexyl)-3-oxidanylidene-pentanedioate Openeye Name: 2,2-bis(2-isopropyl-5-methyl-cyclohexyl)-3-oxo-pentanedioate CAS Name: 2,2-bis(5-methyl-2-propan-2-ylcyclohexyl)-3-oxopentanedioate IUPAC Name: 2,2-bis(5-methyl-2-propan-2-ylcyclohexyl)-3-oxopentanedioate Traditional Name: 2,2-bis(2-isopropyl-5-methyl-cyclohexyl)-3-keto-glutarate Formula: C25H40O5-2 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(C2CC(CCC2C(C)C)C)(C(=O)CC(=O)[O-])C(=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)C(C2CC(CCC2C(C)C)C)(C(=O)CC(=O)[O-])C(=O)[O-])C(C)C

InChI

InChI=1S/C25H42O5/c1-14(2)18-9-7-16(5)11-20(18)25(24(29)30,22(26)13-23(27)28)21-12-17(6)8-10-19(21)15(3)4/h14-21H,7-13H2,1-6H3,(H,27,28)(H,29,30)/p-2