(2Z)-5-methyl-2-[(6-methyl-1-sulfonato-quinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole-3-sulfonate

Systemtic Name: (2Z)-5-methyl-2-[(6-methyl-1-sulfonato-quinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole-3-sulfonate Openeye Name: (2Z)-5-methyl-2-[(6-methyl-1-sulfonato-quinolin-1-ium-2-yl)methylene]-1,3-benzoxazole-3-sulfonate CAS Name: (2Z)-5-methyl-2-[(6-methyl-1-sulfonato-2-quinolin-1-iumyl)methylidene]-1,3-benzoxazole-3-sulfonate IUPAC Name: (2Z)-5-methyl-2-[(6-methyl-1-sulfonatoquinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole-3-sulfonate Traditional Name: (2Z)-5-methyl-2-[(6-methyl-1-sulfonato-quinolin-1-ium-2-yl)methylene]-1,3-benzoxazole-3-sulfonate Formula: C19H15N2O7S2- MolecularWeight: 447.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=C3N(C4=C(O3)C=CC(=C4)C)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C\3/N(C4=C(O3)C=CC(=C4)C)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C19H16N2O7S2/c1-12-3-7-16-14(9-12)5-6-15(20(16)29(22,23)24)11-19-21(30(25,26)27)17-10-13(2)4-8-18(17)28-19/h3-11H,1-2H3,(H-,22,23,24,25,26,27)/p-1