(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole tosylate Formula: C37H38N2O4S2 MolecularWeight: 638.83862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC(=CC4=[N+](C5=C(S4)C=C(C(=C5)C)C)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C(=C\C4=[N+](C5=C(S4)C=C(C(=C5)C)C)CC)\C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H31N2OS.C7H8O3S/c1-6-31-25-19-24(23-11-9-8-10-12-23)13-14-27(25)33-29(31)15-20(3)16-30-32(7-2)26-17-21(4)22(5)18-28(26)34-30;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1