2-(1,1-dioctoxyethoxycarbonyl)benzoic acid

Systemtic Name: 2-(1,1-dioctoxyethoxycarbonyl)benzoic acid Openeye Name: 2-(1,1-dioctoxyethoxycarbonyl)benzoic acid CAS Name: 2-[1,1-dioctoxyethoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(1,1-dioctoxyethoxycarbonyl)benzoic acid Traditional Name: 2-(1,1-dioctoxyethoxycarbonyl)benzoic acid Formula: C26H42O6 MolecularWeight: 450.60808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)(OCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCOC(C)(OCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C26H42O6/c1-4-6-8-10-12-16-20-30-26(3,31-21-17-13-11-9-7-5-2)32-25(29)23-19-15-14-18-22(23)24(27)28/h14-15,18-19H,4-13,16-17,20-21H2,1-3H3,(H,27,28)