4,4-dimethyl-1,1-bis(oxidanylidene)-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid

Systemtic Name: 4,4-dimethyl-1,1-bis(oxidanylidene)-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid Openeye Name: 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid CAS Name: 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydro-1-benzothiopyran-7-carboxylic acid IUPAC Name: 4,4-dimethyl-1,1-dioxo-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid Traditional Name: 1,1-diketo-4,4-dimethyl-8-(propoxymethyl)-2,3-dihydrothiochromene-7-carboxylic acid Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=C(C=CC2=C1S(=O)(=O)CCC2(C)C)C(=O)O

Isomeric SMILES

CCCOCC1=C(C=CC2=C1S(=O)(=O)CCC2(C)C)C(=O)O

InChI

InChI=1S/C16H22O5S/c1-4-8-21-10-12-11(15(17)18)5-6-13-14(12)22(19,20)9-7-16(13,2)3/h5-6H,4,7-10H2,1-3H3,(H,17,18)