4-(methoxymethyl)-5,8-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-5,8-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 4-(methoxymethyl)-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylic acid CAS Name: 4-(methoxymethyl)-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 1,1-diketo-4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)O)C)C(CCS2(=O)=O)COC

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)O)C)C(CCS2(=O)=O)COC

InChI

InChI=1S/C14H18O5S/c1-8-6-11(14(15)16)9(2)12-10(7-19-3)4-5-20(17,18)13(8)12/h6,10H,4-5,7H2,1-3H3,(H,15,16)