2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 1H-indole-5,6-diol

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 1H-indole-5,6-diol Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1H-indole-5,6-diol CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1H-indole-5,6-diol IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 1H-indole-5,6-diol Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid; 1H-indole-5,6-diol Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.C1=CNC2=CC(=C(C=C21)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.C1=CNC2=CC(=C(C=C21)O)O

InChI

InChI=1S/C9H11NO4.C8H7NO2/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;10-7-3-5-1-2-9-6(5)4-8(7)11/h1-2,4,6,11-12H,3,10H2,(H,13,14);1-4,9-11H