3-[5-methoxy-2-(2-phenylazanylethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-methoxy-2-(2-phenylazanylethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-anilinovinyl)-5-methoxy-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-(2-anilinoethenyl)-5-methoxy-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(2-anilinoethenyl)-5-methoxy-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-anilinovinyl)-5-methoxy-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=[N+]2CCCS(=O)(=O)[O-])C=CNC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=[N+]2CCCS(=O)(=O)[O-])C=CNC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-25-16-8-9-18-17(14-16)21(12-5-13-27(22,23)24)19(26-18)10-11-20-15-6-3-2-4-7-15/h2-4,6-11,14H,5,12-13H2,1H3,(H,22,23,24)