6-chloranyl-8-methoxy-4-oxidanyl-2,3-dihydrothiochromene-4-carboxylic acid

Systemtic Name: 6-chloranyl-8-methoxy-4-oxidanyl-2,3-dihydrothiochromene-4-carboxylic acid Openeye Name: 6-chloro-4-hydroxy-8-methoxy-thiochromane-4-carboxylic acid CAS Name: 6-chloro-4-hydroxy-8-methoxy-2,3-dihydro-1-benzothiopyran-4-carboxylic acid IUPAC Name: 6-chloro-4-hydroxy-8-methoxy-2,3-dihydrothiochromene-4-carboxylic acid Traditional Name: 6-chloro-4-hydroxy-8-methoxy-thiochroman-4-carboxylic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Cl)C(CCS2)(C(=O)O)O

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C(CCS2)(C(=O)O)O

InChI

InChI=1S/C11H11ClO4S/c1-16-8-5-6(12)4-7-9(8)17-3-2-11(7,15)10(13)14/h4-5,15H,2-3H2,1H3,(H,13,14)