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

Systemtic Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(5-phenyl-2-vinyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(2-ethenyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(5-phenyl-2-vinyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C19H20NO4S+ MolecularWeight: 358.4314

Click to see the large picture

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/p+1