[2-methyl-1,1,4-tris(oxidanylidene)-3H-1$l^{6},2-benzothiazin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-1,1,4-tris(oxidanylidene)-3H-1$l^{6},2-benzothiazin-3-yl] 4-methylbenzenesulfonate Openeye Name: (2-methyl-1,1,4-trioxo-3H-1$l^{6},2-benzothiazin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-1,1,4-trioxo-3H-1$l^{6},2-benzothiazin-3-yl) ester IUPAC Name: (2-methyl-1,1,4-trioxo-3H-1$l^{6},2-benzothiazin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1,4-triketo-2-methyl-3H-1$l^{6},2-benzothiazin-3-yl) ester Formula: C16H15NO6S2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(=O)C3=CC=CC=C3S(=O)(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(=O)C3=CC=CC=C3S(=O)(=O)N2C

InChI

InChI=1S/C16H15NO6S2/c1-11-7-9-12(10-8-11)25(21,22)23-16-15(18)13-5-3-4-6-14(13)24(19,20)17(16)2/h3-10,16H,1-2H3