(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium; (5-sulfonatooxynaphthalen-1-yl) sulfate

Systemtic Name: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium; (5-sulfonatooxynaphthalen-1-yl) sulfate Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-dimethyl-sulfonium; (5-sulfonatooxy-1-naphthyl) sulfate CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-dimethylsulfonium; (5-sulfonatooxy-1-naphthalenyl) sulfate IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-dimethylsulfanium; (5-sulfonatooxynaphthalen-1-yl) sulfate Traditional Name: (3-amino-4-hydroxy-4-keto-butyl)-dimethyl-sulfonium; (5-sulfato-1-naphthyl) sulfate Formula: C16H20NO10S3- MolecularWeight: 482.5257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCC(C(=O)O)N.C1=CC2=C(C=CC=C2OS(=O)(=O)[O-])C(=C1)OS(=O)(=O)[O-]

Isomeric SMILES

C[S+](C)CCC(C(=O)O)N.C1=CC2=C(C=CC=C2OS(=O)(=O)[O-])C(=C1)OS(=O)(=O)[O-]

InChI

InChI=1S/C10H8O8S2.C6H13NO2S/c11-19(12,13)17-9-5-1-3-7-8(9)4-2-6-10(7)18-20(14,15)16;1-10(2)4-3-5(7)6(8)9/h1-6H,(H,11,12,13)(H,14,15,16);5H,3-4,7H2,1-2H3/p-1