3-azanylpropan-1-ol; 2,3-bis(oxidanyl)-4-oxidanylidene-4-(3-oxidanylphenoxy)butanoic acid

Systemtic Name: 3-azanylpropan-1-ol; 2,3-bis(oxidanyl)-4-oxidanylidene-4-(3-oxidanylphenoxy)butanoic acid Openeye Name: 3-aminopropan-1-ol; 2,3-dihydroxy-4-(3-hydroxyphenoxy)-4-oxo-butanoic acid CAS Name: 3-amino-1-propanol; 2,3-dihydroxy-4-(3-hydroxyphenoxy)-4-oxobutanoic acid IUPAC Name: 3-aminopropan-1-ol; 2,3-dihydroxy-4-(3-hydroxyphenoxy)-4-oxobutanoic acid Traditional Name: 3-aminopropan-1-ol; 2,3-dihydroxy-4-(3-hydroxyphenoxy)-4-keto-butyric acid Formula: C13H19NO8 MolecularWeight: 317.29186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C(C(C(=O)O)O)O)O.C(CN)CO

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C(C(C(=O)O)O)O)O.C(CN)CO

InChI

InChI=1S/C10H10O7.C3H9NO/c11-5-2-1-3-6(4-5)17-10(16)8(13)7(12)9(14)15;4-2-1-3-5/h1-4,7-8,11-13H,(H,14,15);5H,1-4H2