2,4,5-tris(6-methylheptoxycarbonyl)benzoic acid

Systemtic Name: 2,4,5-tris(6-methylheptoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(6-methylheptoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[6-methylheptoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(6-methylheptoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(6-methylheptoxycarbonyl)benzoic acid Formula: C34H54O8 MolecularWeight: 590.78776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C34H54O8/c1-24(2)16-10-7-13-19-40-32(37)28-23-30(34(39)42-21-15-9-12-18-26(5)6)29(22-27(28)31(35)36)33(38)41-20-14-8-11-17-25(3)4/h22-26H,7-21H2,1-6H3,(H,35,36)