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

Systemtic Name: 2-[bis(oxidanyl)methyl]-4-ethynyl-benzoic acid Openeye Name: 2-(dihydroxymethyl)-4-ethynyl-benzoic acid CAS Name: 2-(dihydroxymethyl)-4-ethynylbenzoic acid IUPAC Name: 2-(dihydroxymethyl)-4-ethynylbenzoic acid Traditional Name: 2-(dihydroxymethyl)-4-ethynyl-benzoic acid Formula: C10H8O4 MolecularWeight: 192.16812

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)C(=O)O)C(O)O

Isomeric SMILES

C#CC1=CC(=C(C=C1)C(=O)O)C(O)O

InChI

InChI=1S/C10H8O4/c1-2-6-3-4-7(9(11)12)8(5-6)10(13)14/h1,3-5,10,13-14H,(H,11,12)