3,3,5-trimethyl-4-oxidanyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylic acid

Systemtic Name: 3,3,5-trimethyl-4-oxidanyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylic acid Openeye Name: 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylic acid CAS Name: 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: 4-hydroxy-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylic acid Traditional Name: 4-hydroxy-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carboxylic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(C(CS2(=O)=O)(C)C)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(C(CS2(=O)=O)(C)C)O)C(=O)O

InChI

InChI=1S/C13H16O5S/c1-7-8(12(15)16)4-5-9-10(7)11(14)13(2,3)6-19(9,17)18/h4-5,11,14H,6H2,1-3H3,(H,15,16)