4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[2-ethylhexoxy(oxo)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(2-ethylhexoxycarbonyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(2-ethylhexoxycarbonyl)isophthalic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6/c1-3-5-6-11(4-2)10-23-17(22)13-8-7-12(15(18)19)9-14(13)16(20)21/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)(H,20,21)