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

Systemtic Name: 5-methyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 4-isopropoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylic acid CAS Name: 5-methyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 5-methyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 4-isopropoxy-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(CCS2(=O)=O)OC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(CCS2(=O)=O)OC(C)C)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-8(2)19-11-6-7-20(17,18)12-5-4-10(14(15)16)9(3)13(11)12/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)