2-[5-chloranyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid

Systemtic Name: 2-[5-chloranyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Openeye Name: 2-[2-[(E)-2-anilinovinyl]-5-chloro-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid CAS Name: 2-[2-[(E)-2-anilinoethenyl]-5-chloro-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid IUPAC Name: 2-[2-[(E)-2-anilinoethenyl]-5-chloro-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Traditional Name: 2-[2-[(E)-2-anilinovinyl]-5-chloro-1,3-benzoxazol-3-ium-3-yl]ethanesulfonic acid Formula: C17H16ClN2O4S+ MolecularWeight: 379.83794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=CC2=[N+](C3=C(O2)C=CC(=C3)Cl)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C2=[N+](C3=C(O2)C=CC(=C3)Cl)CCS(=O)(=O)O

InChI

InChI=1S/C17H15ClN2O4S/c18-13-6-7-16-15(12-13)20(10-11-25(21,22)23)17(24-16)8-9-19-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,22,23)/p+1