8-chloranyl-5-methyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 8-chloranyl-5-methyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 8-chloro-4-isopropoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylic acid CAS Name: 8-chloro-5-methyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 8-chloro-5-methyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 8-chloro-4-isopropoxy-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Formula: C14H17ClO5S MolecularWeight: 332.79978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CCS(=O)(=O)C2=C(C=C1C(=O)O)Cl)OC(C)C

Isomeric SMILES

CC1=C2C(CCS(=O)(=O)C2=C(C=C1C(=O)O)Cl)OC(C)C

InChI

InChI=1S/C14H17ClO5S/c1-7(2)20-11-4-5-21(18,19)13-10(15)6-9(14(16)17)8(3)12(11)13/h6-7,11H,4-5H2,1-3H3,(H,16,17)