2-(3,4-diethyloctan-3-yloxycarbonyl)terephthalic acid

Systemtic Name: 2-(3,4-diethyloctan-3-yloxycarbonyl)terephthalic acid Openeye Name: 2-(1,1,2-triethylhexoxycarbonyl)terephthalic acid CAS Name: 2-[3,4-diethyloctan-3-yloxy(oxo)methyl]terephthalic acid IUPAC Name: 2-(3,4-diethyloctan-3-yloxycarbonyl)terephthalic acid Traditional Name: 2-(1,1,2-triethylhexoxycarbonyl)terephthalic acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC)(CC)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C(CC)(CC)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C21H30O6/c1-5-9-10-15(6-2)21(7-3,8-4)27-20(26)17-13-14(18(22)23)11-12-16(17)19(24)25/h11-13,15H,5-10H2,1-4H3,(H,22,23)(H,24,25)