1-oxidanylidene-1-[(8-oxidanylquinolin-5-yl)amino]dodecane-2-sulfonate

Systemtic Name: 1-oxidanylidene-1-[(8-oxidanylquinolin-5-yl)amino]dodecane-2-sulfonate Openeye Name: 1-[(8-hydroxy-5-quinolyl)amino]-1-oxo-dodecane-2-sulfonate CAS Name: 1-[(8-hydroxy-5-quinolinyl)amino]-1-oxo-2-dodecanesulfonate IUPAC Name: 1-[(8-hydroxyquinolin-5-yl)amino]-1-oxododecane-2-sulfonate Traditional Name: 1-[(8-hydroxy-5-quinolyl)amino]-1-keto-dodecane-2-sulfonate Formula: C21H29N2O5S- MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NC1=C2C=CC=NC2=C(C=C1)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)NC1=C2C=CC=NC2=C(C=C1)O)S(=O)(=O)[O-]

InChI

InChI=1S/C21H30N2O5S/c1-2-3-4-5-6-7-8-9-12-19(29(26,27)28)21(25)23-17-13-14-18(24)20-16(17)11-10-15-22-20/h10-11,13-15,19,24H,2-9,12H2,1H3,(H,23,25)(H,26,27,28)/p-1