2,6-dimethyl-4-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethoxy]benzenesulfinate

Systemtic Name: 2,6-dimethyl-4-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethoxy]benzenesulfinate Openeye Name: 4-[2-[(4-hydroxy-4-oxo-butyl)amino]-2-oxo-ethoxy]-2,6-dimethyl-benzenesulfinate CAS Name: 4-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethoxy]-2,6-dimethylbenzenesulfinate IUPAC Name: 4-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethoxy]-2,6-dimethylbenzenesulfinate Traditional Name: 4-[2-[(4-hydroxy-4-keto-butyl)amino]-2-keto-ethoxy]-2,6-dimethyl-benzenesulfinate Formula: C14H18NO6S- MolecularWeight: 328.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)[O-])C)OCC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)[O-])C)OCC(=O)NCCCC(=O)O

InChI

InChI=1S/C14H19NO6S/c1-9-6-11(7-10(2)14(9)22(19)20)21-8-12(16)15-5-3-4-13(17)18/h6-7H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/p-1