bis(16-methylheptadecyl) 3-methylcyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: bis(16-methylheptadecyl) 3-methylcyclohex-4-ene-1,2-dicarboxylate Openeye Name: bis(16-methylheptadecyl) 3-methylcyclohex-4-ene-1,2-dicarboxylate CAS Name: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid bis(16-methylheptadecyl) ester IUPAC Name: bis(16-methylheptadecyl) 3-methylcyclohex-4-ene-1,2-dicarboxylate Traditional Name: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid bis(16-methylheptadecyl) ester Formula: C45H84O4 MolecularWeight: 689.14606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC1C=CCC(C1C(=O)OCCCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C45H84O4/c1-39(2)33-28-24-20-16-12-8-6-10-14-18-22-26-30-37-48-44(46)42-36-32-35-41(5)43(42)45(47)49-38-31-27-23-19-15-11-7-9-13-17-21-25-29-34-40(3)4/h32,35,39-43H,6-31,33-34,36-38H2,1-5H3