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

Systemtic Name: 4-(2-oxidanylpropoxycarbonyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(2-hydroxypropoxycarbonyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[2-hydroxypropoxy(oxo)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(2-hydroxypropoxycarbonyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(2-hydroxypropoxycarbonyl)isophthalic acid Formula: C12H12O7 MolecularWeight: 268.21948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O7/c1-6(13)5-19-12(18)8-3-2-7(10(14)15)4-9(8)11(16)17/h2-4,6,13H,5H2,1H3,(H,14,15)(H,16,17)