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

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-methylbenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C14H10O5S2 MolecularWeight: 322.3562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O5S2/c1-9-2-5-11(6-3-9)21(16,17)19-10-4-7-12-13(8-10)20-14(15)18-12/h2-8H,1H3