8-chloranyl-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 8-chloranyl-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 8-chloro-4-methoxy-5-methyl-thiochromane-6-carboxylic acid CAS Name: 8-chloro-4-methoxy-5-methyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 8-chloro-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 8-chloro-4-methoxy-5-methyl-thiochroman-6-carboxylic acid Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCSC2=C(C=C1C(=O)O)Cl)OC

Isomeric SMILES

CC1=C2C(CCSC2=C(C=C1C(=O)O)Cl)OC

InChI

InChI=1S/C12H13ClO3S/c1-6-7(12(14)15)5-8(13)11-10(6)9(16-2)3-4-17-11/h5,9H,3-4H2,1-2H3,(H,14,15)