2-azanyl-2-(hydroxymethyl)propane-1,3-diol; phthalic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; phthalic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; phthalic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; phthalic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; phthalic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; phthalic acid Formula: C16H28N2O10 MolecularWeight: 408.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C8H6O4.2C4H11NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H,9,10)(H,11,12);2*6-8H,1-3,5H2