4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Openeye Name: 4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate CAS Name: 4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzoxazol-3-yl]-1-butanesulfonate IUPAC Name: 4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Traditional Name: 4-[(2Z)-2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylene]-5-phenyl-1,3-benzoxazol-3-yl]butane-1-sulfonate Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1C=C(C=C2)OC)C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OC2=C1C=C(C=C2)OC)/C=C\3/N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C27H26N2O6S/c1-28-22-17-21(33-2)11-13-24(22)34-26(28)18-27-29(14-6-7-15-36(30,31)32)23-16-20(10-12-25(23)35-27)19-8-4-3-5-9-19/h3-5,8-13,16-18H,6-7,14-15H2,1-2H3