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

Systemtic Name: 3-[5-phenyl-2-[(Z)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-2-anilinovinyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-2-anilinoethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-2-anilinoethenyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-2-anilinovinyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=[N+]3CCCS(=O)(=O)[O-])C=CNC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=[N+]3CCCS(=O)(=O)[O-])/C=C\NC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4S/c27-31(28,29)17-7-16-26-22-18-20(19-8-3-1-4-9-19)12-13-23(22)30-24(26)14-15-25-21-10-5-2-6-11-21/h1-6,8-15,18H,7,16-17H2,(H,27,28,29)