4-butoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid

Systemtic Name: 4-butoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Openeye Name: 4-butoxy-5,8-dimethyl-thiochromane-6-carboxylic acid CAS Name: 4-butoxy-5,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 4-butoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid Traditional Name: 4-butoxy-5,8-dimethyl-thiochroman-6-carboxylic acid Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCSC2=C(C=C(C(=C12)C)C(=O)O)C

Isomeric SMILES

CCCCOC1CCSC2=C(C=C(C(=C12)C)C(=O)O)C

InChI

InChI=1S/C16H22O3S/c1-4-5-7-19-13-6-8-20-15-10(2)9-12(16(17)18)11(3)14(13)15/h9,13H,4-8H2,1-3H3,(H,17,18)