5-octyl-2-undecoxycarbonyl-benzoic acid

Systemtic Name: 5-octyl-2-undecoxycarbonyl-benzoic acid Openeye Name: 5-octyl-2-undecoxycarbonyl-benzoic acid CAS Name: 5-octyl-2-[oxo(undecoxy)methyl]benzoic acid IUPAC Name: 5-octyl-2-undecoxycarbonylbenzoic acid Traditional Name: 5-octyl-2-undecoxycarbonyl-benzoic acid Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)CCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)CCCCCCCC)C(=O)O

InChI

InChI=1S/C27H44O4/c1-3-5-7-9-11-12-13-15-17-21-31-27(30)24-20-19-23(22-25(24)26(28)29)18-16-14-10-8-6-4-2/h19-20,22H,3-18,21H2,1-2H3,(H,28,29)