5-heptan-2-yl-6-methyl-5-undecoxycarbonyl-undecanoic acid

Systemtic Name: 5-heptan-2-yl-6-methyl-5-undecoxycarbonyl-undecanoic acid Openeye Name: 6-methyl-5-(1-methylhexyl)-5-undecoxycarbonyl-undecanoic acid CAS Name: 5-heptan-2-yl-6-methyl-5-[oxo(undecoxy)methyl]undecanoic acid IUPAC Name: 5-heptan-2-yl-6-methyl-5-undecoxycarbonylundecanoic acid Traditional Name: 6-methyl-5-(1-methylhexyl)-5-undecoxycarbonyl-undecanoic acid Formula: C31H60O4 MolecularWeight: 496.8057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C(CCCC(=O)O)(C(C)CCCCC)C(C)CCCCC

Isomeric SMILES

CCCCCCCCCCCOC(=O)C(CCCC(=O)O)(C(C)CCCCC)C(C)CCCCC

InChI

InChI=1S/C31H60O4/c1-6-9-12-13-14-15-16-17-20-26-35-30(34)31(25-21-24-29(32)33,27(4)22-18-10-7-2)28(5)23-19-11-8-3/h27-28H,6-26H2,1-5H3,(H,32,33)