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

Systemtic Name: 6-cyclohexyl-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid Openeye Name: 6-cyclohexyl-4-oxo-isothiochromane-1-carboxylic acid CAS Name: 6-cyclohexyl-4-oxo-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 6-cyclohexyl-4-oxo-1H-isothiochromene-1-carboxylic acid Traditional Name: 6-cyclohexyl-4-keto-isothiochroman-1-carboxylic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)O

InChI

InChI=1S/C16H18O3S/c17-14-9-20-15(16(18)19)12-7-6-11(8-13(12)14)10-4-2-1-3-5-10/h6-8,10,15H,1-5,9H2,(H,18,19)