4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole

Systemtic Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Openeye Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole CAS Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole IUPAC Name: 4-methylbenzenesulfonate; (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Traditional Name: (2E)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole tosylate Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)C

InChI

InChI=1S/C19H17N2O2.C7H8O3S/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1