[3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate

Systemtic Name: [3-(hydroxymethyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [3-(hydroxymethyl)-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-(hydroxymethyl)-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-(hydroxymethyl)-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (4-keto-3-methylol-thiochroman-3-yl)methyl ester Formula: C21H24O5S2 MolecularWeight: 420.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=CC=CC=C3C2=O)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=CC=CC=C3C2=O)CO

InChI

InChI=1S/C21H24O5S2/c1-20(2,3)15-8-10-16(11-9-15)28(24,25)26-13-21(12-22)14-27-18-7-5-4-6-17(18)19(21)23/h4-11,22H,12-14H2,1-3H3