3-[2-[2-[methyl(phenyl)amino]ethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[2-[methyl(phenyl)amino]ethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[2-(N-methylanilino)vinyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[2-(N-methylanilino)ethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[2-(N-methylanilino)ethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[2-(N-methylanilino)vinyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(C=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-26(22-11-6-3-7-12-22)17-15-25-27(16-8-18-32(28,29)30)23-19-21(13-14-24(23)31-25)20-9-4-2-5-10-20/h2-7,9-15,17,19H,8,16,18H2,1H3