2-[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]-2-sulfanyl-propanoic acid

Systemtic Name: 2-[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]-2-sulfanyl-propanoic acid Openeye Name: 2-(6,7-dihydroxy-2-oxo-chromen-4-yl)-2-sulfanyl-propanoic acid CAS Name: 2-(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)-2-mercaptopropanoic acid IUPAC Name: 2-(6,7-dihydroxy-2-oxochromen-4-yl)-2-sulfanylpropanoic acid Traditional Name: 2-(6,7-dihydroxy-2-keto-chromen-4-yl)-2-mercapto-propionic acid Formula: C12H10O6S MolecularWeight: 282.2692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)OC2=CC(=C(C=C12)O)O)(C(=O)O)S

Isomeric SMILES

CC(C1=CC(=O)OC2=CC(=C(C=C12)O)O)(C(=O)O)S

InChI

InChI=1S/C12H10O6S/c1-12(19,11(16)17)6-3-10(15)18-9-4-8(14)7(13)2-5(6)9/h2-4,13-14,19H,1H3,(H,16,17)