2-(hydroxymethyl)-4-oxidanylidene-7-sulfanyl-3H-chromene-2-carboxylic acid

Systemtic Name: 2-(hydroxymethyl)-4-oxidanylidene-7-sulfanyl-3H-chromene-2-carboxylic acid Openeye Name: 2-(hydroxymethyl)-4-oxo-7-sulfanyl-chromane-2-carboxylic acid CAS Name: 2-(hydroxymethyl)-7-mercapto-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2-(hydroxymethyl)-4-oxo-7-sulfanyl-3H-chromene-2-carboxylic acid Traditional Name: 4-keto-7-mercapto-2-methylol-chroman-2-carboxylic acid Formula: C11H10O5S MolecularWeight: 254.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(C=C(C=C2)S)OC1(CO)C(=O)O

Isomeric SMILES

C1C(=O)C2=C(C=C(C=C2)S)OC1(CO)C(=O)O

InChI

InChI=1S/C11H10O5S/c12-5-11(10(14)15)4-8(13)7-2-1-6(17)3-9(7)16-11/h1-3,12,17H,4-5H2,(H,14,15)