(2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-propan-2-ylbenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C16H14O5S2 MolecularWeight: 350.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3

InChI

InChI=1S/C16H14O5S2/c1-10(2)11-3-6-13(7-4-11)23(18,19)21-12-5-8-14-15(9-12)22-16(17)20-14/h3-10H,1-2H3