3,5-bis(7-methyloctoxycarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3,5-bis(7-methyloctoxycarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 3,5-bis(7-methyloctoxycarbonyl)cyclohexanecarboxylic acid CAS Name: 3,5-bis[7-methyloctoxy(oxo)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,5-bis(7-methyloctoxycarbonyl)cyclohexane-1-carboxylic acid Traditional Name: 3,5-bis(7-methyloctoxycarbonyl)cyclohexanecarboxylic acid Formula: C27H48O6 MolecularWeight: 468.66642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCCCOC(=O)C1CC(CC(C1)C(=O)OCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C27H48O6/c1-20(2)13-9-5-7-11-15-32-26(30)23-17-22(25(28)29)18-24(19-23)27(31)33-16-12-8-6-10-14-21(3)4/h20-24H,5-19H2,1-4H3,(H,28,29)