4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate

Systemtic Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(5-phenyl-2-vinyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-butanesulfonate IUPAC Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(5-phenyl-2-vinyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H19NO4S/c1-2-19-20(12-6-7-13-25(21,22)23)17-14-16(10-11-18(17)24-19)15-8-4-3-5-9-15/h2-5,8-11,14H,1,6-7,12-13H2