2-(9-propylheptadecan-9-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(9-propylheptadecan-9-yloxycarbonyl)benzoic acid Openeye Name: 2-(1-octyl-1-propyl-nonoxy)carbonylbenzoic acid CAS Name: 2-[oxo(9-propylheptadecan-9-yloxy)methyl]benzoic acid IUPAC Name: 2-(9-propylheptadecan-9-yloxycarbonyl)benzoic acid Traditional Name: 2-(1-octyl-1-propyl-nonoxy)carbonylbenzoic acid Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)(CCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCC(CCC)(CCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C28H46O4/c1-4-7-9-11-13-17-22-28(21-6-3,23-18-14-12-10-8-5-2)32-27(31)25-20-16-15-19-24(25)26(29)30/h15-16,19-20H,4-14,17-18,21-23H2,1-3H3,(H,29,30)