2-(carboxymethylsulfanyl)-4-ethynoxy-benzoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-ethynoxy-benzoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-ethynoxy-benzoic acid CAS Name: 2-(carboxymethylthio)-4-ethynoxybenzoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-ethynoxybenzoic acid Traditional Name: 2-(carboxymethylthio)-4-ethynoxy-benzoic acid Formula: C11H8O5S MolecularWeight: 252.24322

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Descriptors Computed from Structure

Canonical SMILES:

C#COC1=CC(=C(C=C1)C(=O)O)SCC(=O)O

Isomeric SMILES

C#COC1=CC(=C(C=C1)C(=O)O)SCC(=O)O

InChI

InChI=1S/C11H8O5S/c1-2-16-7-3-4-8(11(14)15)9(5-7)17-6-10(12)13/h1,3-5H,6H2,(H,12,13)(H,14,15)