2-[bis(oxidanyl)methyl]-4-ethynyl-3-methyl-benzoic acid

Systemtic Name: 2-[bis(oxidanyl)methyl]-4-ethynyl-3-methyl-benzoic acid Openeye Name: 2-(dihydroxymethyl)-4-ethynyl-3-methyl-benzoic acid CAS Name: 2-(dihydroxymethyl)-4-ethynyl-3-methylbenzoic acid IUPAC Name: 2-(dihydroxymethyl)-4-ethynyl-3-methylbenzoic acid Traditional Name: 2-(dihydroxymethyl)-4-ethynyl-3-methyl-benzoic acid Formula: C11H10O4 MolecularWeight: 206.1947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(O)O)C(=O)O)C#C

Isomeric SMILES

CC1=C(C=CC(=C1C(O)O)C(=O)O)C#C

InChI

InChI=1S/C11H10O4/c1-3-7-4-5-8(10(12)13)9(6(7)2)11(14)15/h1,4-5,11,14-15H,2H3,(H,12,13)