[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-methyl-azanium sulfate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-methyl-azanium sulfate Openeye Name: [2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-methyl-ammonium sulfate CAS Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylammonium sulfate IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylazanium sulfate Traditional Name: [2-(3,4-dihydroxyphenyl)-2-keto-ethyl]-methyl-ammonium sulfate Formula: C18H24N2O10S MolecularWeight: 460.45556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)C1=CC(=C(C=C1)O)O.C[NH2+]CC(=O)C1=CC(=C(C=C1)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]CC(=O)C1=CC(=C(C=C1)O)O.C[NH2+]CC(=O)C1=CC(=C(C=C1)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H11NO3.H2O4S/c2*1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(2,3)4/h2*2-4,10-12H,5H2,1H3;(H2,1,2,3,4)