3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-2-methyl-7-oxidanyl-chromen-4-one; 4-methylbenzenesulfonate

Systemtic Name: 3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-2-methyl-7-oxidanyl-chromen-4-one; 4-methylbenzenesulfonate Openeye Name: 3-(3-ethylthiazol-3-ium-4-yl)-7-hydroxy-2-methyl-chromen-4-one; 4-methylbenzenesulfonate CAS Name: 3-(3-ethyl-4-thiazol-3-iumyl)-7-hydroxy-2-methyl-1-benzopyran-4-one; 4-methylbenzenesulfonate IUPAC Name: 3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-7-hydroxy-2-methylchromen-4-one; 4-methylbenzenesulfonate Traditional Name: 3-(3-ethylthiazol-3-ium-4-yl)-7-hydroxy-2-methyl-chromone tosylate Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CSC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H13NO3S.C7H8O3S/c1-3-16-8-20-7-12(16)14-9(2)19-13-6-10(17)4-5-11(13)15(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)