6-hexyl-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 6-hexyl-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid Openeye Name: 6-hexyl-4-oxo-isothiochromane-1-carboxylic acid CAS Name: 6-hexyl-4-oxo-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 6-hexyl-4-oxo-1H-isothiochromene-1-carboxylic acid Traditional Name: 6-hexyl-4-keto-isothiochroman-1-carboxylic acid Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(SCC2=O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(SCC2=O)C(=O)O

InChI

InChI=1S/C16H20O3S/c1-2-3-4-5-6-11-7-8-12-13(9-11)14(17)10-20-15(12)16(18)19/h7-9,15H,2-6,10H2,1H3,(H,18,19)