1-tert-butyl-6-methyl-1H-isothiochromene-4-carboxylic acid

Systemtic Name: 1-tert-butyl-6-methyl-1H-isothiochromene-4-carboxylic acid Openeye Name: 1-tert-butyl-6-methyl-1H-isothiochromene-4-carboxylic acid CAS Name: 1-tert-butyl-6-methyl-1H-2-benzothiopyran-4-carboxylic acid IUPAC Name: 1-tert-butyl-6-methyl-1H-isothiochromene-4-carboxylic acid Traditional Name: 1-tert-butyl-6-methyl-1H-isothiochromene-4-carboxylic acid Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(SC=C2C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(SC=C2C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H18O2S/c1-9-5-6-10-11(7-9)12(14(16)17)8-18-13(10)15(2,3)4/h5-8,13H,1-4H3,(H,16,17)