4-methyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)quinolin-1-ium-6-sulfonate

Systemtic Name: 4-methyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)quinolin-1-ium-6-sulfonate Openeye Name: 1-(6-hydroxy-6-oxo-hexyl)-4-methyl-quinolin-1-ium-6-sulfonate CAS Name: 1-(6-hydroxy-6-oxohexyl)-4-methyl-6-quinolin-1-iumsulfonate IUPAC Name: 1-(6-hydroxy-6-oxohexyl)-4-methylquinolin-1-ium-6-sulfonate Traditional Name: 1-(6-hydroxy-6-keto-hexyl)-4-methyl-quinolin-1-ium-6-sulfonate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C2C=C(C=CC2=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C16H19NO5S/c1-12-8-10-17(9-4-2-3-5-16(18)19)15-7-6-13(11-14(12)15)23(20,21)22/h6-8,10-11H,2-5,9H2,1H3,(H-,18,19,20,21,22)