(2-oxidanylidene-1,3-benzoxathiol-5-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C16H14O5S2 MolecularWeight: 350.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)C

InChI

InChI=1S/C16H14O5S2/c1-9-6-10(2)15(11(3)7-9)23(18,19)21-12-4-5-13-14(8-12)22-16(17)20-13/h4-8H,1-3H3