3-(2-oxidanylpropoxycarbonyl)benzoic acid

Systemtic Name: 3-(2-oxidanylpropoxycarbonyl)benzoic acid Openeye Name: 3-(2-hydroxypropoxycarbonyl)benzoic acid CAS Name: 3-[2-hydroxypropoxy(oxo)methyl]benzoic acid IUPAC Name: 3-(2-hydroxypropoxycarbonyl)benzoic acid Traditional Name: 3-(2-hydroxypropoxycarbonyl)benzoic acid Formula: C11H12O5 MolecularWeight: 224.20998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O5/c1-7(12)6-16-11(15)9-4-2-3-8(5-9)10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)