2-[(8-methyl-4-oxidanylidene-2,3-dihydrothiochromen-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-2,3-dihydrothiochromen-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-(8-methyl-4-oxo-thiochroman-5-yl)sulfanylacetic acid CAS Name: 2-[(8-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-5-yl)thio]acetic acid IUPAC Name: 2-[(8-methyl-4-oxo-2,3-dihydrothiochromen-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-8-methyl-thiochroman-5-yl)thio]acetic acid Formula: C12H12O3S2 MolecularWeight: 268.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)SCC(=O)O)C(=O)CCS2

Isomeric SMILES

CC1=C2C(=C(C=C1)SCC(=O)O)C(=O)CCS2

InChI

InChI=1S/C12H12O3S2/c1-7-2-3-9(17-6-10(14)15)11-8(13)4-5-16-12(7)11/h2-3H,4-6H2,1H3,(H,14,15)