2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid

Systemtic Name: 2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid Openeye Name: 2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid CAS Name: 2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid IUPAC Name: 2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid Traditional Name: 2-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)ethanesulfonic acid Formula: C16H16NO4S+ MolecularWeight: 318.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-12-17(9-10-22(18,19)20)15-11-14(7-8-16(15)21-12)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/p+1