4-(2-methyl-1-oxidanidyl-quinolin-1-ium-6-yl)oxy-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(2-methyl-1-oxidanidyl-quinolin-1-ium-6-yl)oxy-3-methylsulfonyl-benzoic acid Openeye Name: 4-(2-methyl-1-oxido-quinolin-1-ium-6-yl)oxy-3-methylsulfonyl-benzoic acid CAS Name: 4-[(2-methyl-1-oxido-6-quinolin-1-iumyl)oxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-(2-methyl-1-oxidoquinolin-1-ium-6-yl)oxy-3-methylsulfonylbenzoic acid Traditional Name: 3-mesyl-4-(2-methyl-1-oxido-quinolin-1-ium-6-yl)oxy-benzoic acid Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)OC3=C(C=C(C=C3)C(=O)O)S(=O)(=O)C)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)OC3=C(C=C(C=C3)C(=O)O)S(=O)(=O)C)[O-]

InChI

InChI=1S/C18H15NO6S/c1-11-3-4-12-9-14(6-7-15(12)19(11)22)25-16-8-5-13(18(20)21)10-17(16)26(2,23)24/h3-10H,1-2H3,(H,20,21)