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

Systemtic Name: 4,4,5-trimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromene-6-carboxylic acid Openeye Name: 4,4,5-trimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carboxylic acid CAS Name: 4,4,5-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: 4,4,5-trimethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carboxylic acid Traditional Name: 1,1-diketo-4,4,5-trimethyl-2,3-dihydrothiochromene-6-carboxylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-8-9(12(14)15)4-5-10-11(8)13(2,3)6-7-18(10,16)17/h4-5H,6-7H2,1-3H3,(H,14,15)