4,5-bis(7-methyloctoxycarbonyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4,5-bis(7-methyloctoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 4,5-bis(7-methyloctoxycarbonyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 4,5-bis[7-methyloctoxy(oxo)methyl]cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4,5-bis(7-methyloctoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 4,5-bis(7-methyloctoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Formula: C28H48O8 MolecularWeight: 512.67592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(=O)C1CC(C(CC1C(=O)OCCCCCCC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCCOC(=O)C1CC(C(CC1C(=O)OCCCCCCC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C28H48O8/c1-19(2)13-9-5-7-11-15-35-27(33)23-17-21(25(29)30)22(26(31)32)18-24(23)28(34)36-16-12-8-6-10-14-20(3)4/h19-24H,5-18H2,1-4H3,(H,29,30)(H,31,32)