4,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 4,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 4,5-bis[16-methylheptadecoxy(oxo)methyl]cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 4,5-bis(16-methylheptadecoxycarbonyl)cyclohexane-1,2-dicarboxylic acid Formula: C46H84O8 MolecularWeight: 765.15436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC(C(CC1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1CC(C(CC1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C46H84O8/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-53-45(51)41-35-39(43(47)48)40(44(49)50)36-42(41)46(52)54-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-42H,5-36H2,1-4H3,(H,47,48)(H,49,50)