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

Systemtic Name: 4-ethylsulfanyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromene-6-carboxylic acid Openeye Name: 4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylic acid CAS Name: 4-(ethylthio)-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: 4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carboxylic acid Traditional Name: 4-(ethylthio)-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carboxylic acid Formula: C15H20O4S2 MolecularWeight: 328.4469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)CC1(C)C

Isomeric SMILES

CCSC1C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)CC1(C)C

InChI

InChI=1S/C15H20O4S2/c1-5-20-13-12-9(2)10(14(16)17)6-7-11(12)21(18,19)8-15(13,3)4/h6-7,13H,5,8H2,1-4H3,(H,16,17)