4-(2,2,4,10,12,12-hexamethyltridecan-7-yl)cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: 4-(2,2,4,10,12,12-hexamethyltridecan-7-yl)cyclohex-4-ene-1,2-dicarboxylate Openeye Name: 4-[4,6,6-trimethyl-1-(3,5,5-trimethylhexyl)heptyl]cyclohex-4-ene-1,2-dicarboxylate CAS Name: 4-(2,2,4,10,12,12-hexamethyltridecan-7-yl)cyclohex-4-ene-1,2-dicarboxylate IUPAC Name: 4-(2,2,4,10,12,12-hexamethyltridecan-7-yl)cyclohex-4-ene-1,2-dicarboxylate Traditional Name: 4-[4,6,6-trimethyl-1-(3,5,5-trimethylhexyl)heptyl]cyclohex-4-ene-1,2-dicarboxylate Formula: C27H46O4-2 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CCC(C)CC(C)(C)C)C1=CCC(C(C1)C(=O)[O-])C(=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CCC(CCC(C)CC(C)(C)C)C1=CCC(C(C1)C(=O)[O-])C(=O)[O-])CC(C)(C)C

InChI

InChI=1S/C27H48O4/c1-18(16-26(3,4)5)9-11-20(12-10-19(2)17-27(6,7)8)21-13-14-22(24(28)29)23(15-21)25(30)31/h13,18-20,22-23H,9-12,14-17H2,1-8H3,(H,28,29)(H,30,31)/p-2