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

Systemtic Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate Openeye Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate CAS Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-2-butanesulfonate IUPAC Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate Traditional Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-13(24(20,21)22)10-11-19-14(2)23-18-9-8-16(12-17(18)19)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3