[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C13H17NO7 MolecularWeight: 299.27658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3.C4H4O4/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-3(6)1-2-4(7)8/h2-4,9-13H,5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-