3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phthalic acid

Systemtic Name: 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phthalic acid Openeye Name: 3-[[5-(hydroxymethyl)-2-furyl]methylamino]phthalic acid CAS Name: 3-[[5-(hydroxymethyl)-2-furanyl]methylamino]phthalic acid IUPAC Name: 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phthalic acid Traditional Name: 3-[(5-methylol-2-furyl)methylamino]phthalic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NCC2=CC=C(O2)CO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NCC2=CC=C(O2)CO)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6/c16-7-9-5-4-8(21-9)6-15-11-3-1-2-10(13(17)18)12(11)14(19)20/h1-5,15-16H,6-7H2,(H,17,18)(H,19,20)