5-methyl-4-oxidanylidene-2,3,7,8-tetrahydrothiochromene-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-2,3,7,8-tetrahydrothiochromene-6-carboxylate Openeye Name: 5-methyl-4-oxo-2,3,7,8-tetrahydrothiochromene-6-carboxylate CAS Name: 5-methyl-4-oxo-2,3,7,8-tetrahydro-1-benzothiopyran-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2,3,7,8-tetrahydrothiochromene-6-carboxylate Traditional Name: 4-keto-5-methyl-2,3,7,8-tetrahydrothiochromene-6-carboxylate Formula: C11H11O3S- MolecularWeight: 223.26824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2=C1C(=O)CCS2)C(=O)[O-]

Isomeric SMILES

CC1=C(CCC2=C1C(=O)CCS2)C(=O)[O-]

InChI

InChI=1S/C11H12O3S/c1-6-7(11(13)14)2-3-9-10(6)8(12)4-5-15-9/h2-5H2,1H3,(H,13,14)/p-1