2-[carboxymethylsulfanyl-(4-oxidanylidenechromen-3-yl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-(4-oxidanylidenechromen-3-yl)methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-(4-oxochromen-3-yl)methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-(4-oxo-1-benzopyran-3-yl)methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-(4-oxochromen-3-yl)methyl]sulfanylacetic acid Traditional Name: 2-[[(carboxymethylthio)-(4-ketochromen-3-yl)methyl]thio]acetic acid Formula: C14H12O6S2 MolecularWeight: 340.37148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CO2)C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C14H12O6S2/c15-11(16)6-21-14(22-7-12(17)18)9-5-20-10-4-2-1-3-8(10)13(9)19/h1-5,14H,6-7H2,(H,15,16)(H,17,18)