[3-[5-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [3-[5-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [1-[[5-(2-azaniumyl-3-hydroxy-3-oxo-propyl)-2,3-dihydroxy-phenyl]sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]ammonium CAS Name: [3-[[5-(2-ammonio-3-hydroxy-3-oxopropyl)-2,3-dihydroxyphenyl]thio]-1-hydroxy-1-oxopropan-2-yl]ammonium IUPAC Name: [3-[5-(2-azaniumyl-3-hydroxy-3-oxopropyl)-2,3-dihydroxyphenyl]sulfanyl-1-hydroxy-1-oxopropan-2-yl]azanium Traditional Name: [1-[[[5-(2-ammonio-3-hydroxy-3-keto-propyl)-2,3-dihydroxy-phenyl]thio]methyl]-2-hydroxy-2-keto-ethyl]ammonium Formula: C12H18N2O6S+2 MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/p+2