[2-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: [2-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: [2-[3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-4,5-dihydroxy-phenyl]-2-hydroxy-ethyl]ammonium CAS Name: [2-[3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-4,5-dihydroxyphenyl]-2-hydroxyethyl]ammonium IUPAC Name: [2-[3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-4,5-dihydroxyphenyl]-2-hydroxyethyl]azanium Traditional Name: [2-[3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-4,5-dihydroxy-phenyl]-2-hydroxy-ethyl]ammonium Formula: C11H17N2O5S+ MolecularWeight: 289.32808

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)C(C[NH3+])O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SCC(C(=O)O)N)C(C[NH3+])O

InChI

InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/p+1