2,4,5-tris(octoxycarbonyl)benzoic acid

Systemtic Name: 2,4,5-tris(octoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(octoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[octoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(octoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(octoxycarbonyl)benzoic acid Formula: C34H54O8 MolecularWeight: 590.78776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54O8/c1-4-7-10-13-16-19-22-40-32(37)28-26-30(34(39)42-24-21-18-15-12-9-6-3)29(25-27(28)31(35)36)33(38)41-23-20-17-14-11-8-5-2/h25-26H,4-24H2,1-3H3,(H,35,36)