1-tert-butyl-1H-isothiochromene-4-carboxylic acid

Systemtic Name: 1-tert-butyl-1H-isothiochromene-4-carboxylic acid Openeye Name: 1-tert-butyl-1H-isothiochromene-4-carboxylic acid CAS Name: 1-tert-butyl-1H-2-benzothiopyran-4-carboxylic acid IUPAC Name: 1-tert-butyl-1H-isothiochromene-4-carboxylic acid Traditional Name: 1-tert-butyl-1H-isothiochromene-4-carboxylic acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=CC=CC=C2C(=CS1)C(=O)O

Isomeric SMILES

CC(C)(C)C1C2=CC=CC=C2C(=CS1)C(=O)O

InChI

InChI=1S/C14H16O2S/c1-14(2,3)12-10-7-5-4-6-9(10)11(8-17-12)13(15)16/h4-8,12H,1-3H3,(H,15,16)