3,5-bis(6-methylheptoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,5-bis(6-methylheptoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,5-bis(6-methylheptoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,5-bis[6-methylheptoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,5-bis(6-methylheptoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,5-bis(6-methylheptoxycarbonyl)cyclohexanecarboxylic acid Formula: C25H44O6 MolecularWeight: 440.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C25H44O6/c1-18(2)11-7-5-9-13-30-24(28)21-15-20(23(26)27)16-22(17-21)25(29)31-14-10-6-8-12-19(3)4/h18-22H,5-17H2,1-4H3,(H,26,27)