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

Systemtic Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-butanesulfonate IUPAC Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-1-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)CCCCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-14-19(11-5-6-12-24(20,21)22)17-13-16(9-10-18(17)23-14)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3