benzene-1,3-dicarboxylic acid; 2-methyloxirane

Systemtic Name: benzene-1,3-dicarboxylic acid; 2-methyloxirane Openeye Name: isophthalic acid; 2-methyloxirane CAS Name: benzene-1,3-dicarboxylic acid; 2-methyloxirane IUPAC Name: benzene-1,3-dicarboxylic acid; 2-methyloxirane Traditional Name: isophthalic acid; propylene oxide Formula: C11H12O5 MolecularWeight: 224.20998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC1CO1.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C3H6O/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-2-4-3/h1-4H,(H,9,10)(H,11,12);3H,2H2,1H3