(3R,4R)-3-hexyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid

Systemtic Name: (3R,4R)-3-hexyl-1-oxidanylidene-3,4-dihydroisothiochromene-4-carboxylic acid Openeye Name: (3R,4R)-3-hexyl-1-oxo-isothiochromane-4-carboxylic acid CAS Name: (3R,4R)-3-hexyl-1-oxo-3,4-dihydro-2-benzothiopyran-4-carboxylic acid IUPAC Name: (3R,4R)-3-hexyl-1-oxo-3,4-dihydroisothiochromene-4-carboxylic acid Traditional Name: (3R,4R)-3-hexyl-1-keto-isothiochroman-4-carboxylic acid Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C2=CC=CC=C2C(=O)S1)C(=O)O

Isomeric SMILES

CCCCCC[C@@H]1[C@H](C2=CC=CC=C2C(=O)S1)C(=O)O

InChI

InChI=1S/C16H20O3S/c1-2-3-4-5-10-13-14(15(17)18)11-8-6-7-9-12(11)16(19)20-13/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)/t13-,14+/m1/s1