5-[[[2-oxidanyl-2-(1-oxidanylnaphthalen-2-yl)oxy-ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[[[2-oxidanyl-2-(1-oxidanylnaphthalen-2-yl)oxy-ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[[[2-hydroxy-2-[(1-hydroxy-2-naphthyl)oxy]ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[[[2-hydroxy-2-[(1-hydroxy-2-naphthalenyl)oxy]ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[[[2-hydroxy-2-(1-hydroxynaphthalen-2-yl)oxyethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-[[[2-hydroxy-2-(1-hydroxy-2-naphthoxy)ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C22H19NO9 MolecularWeight: 441.38756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2O)OC(CNCC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2O)OC(CNCC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)O)O

InChI

InChI=1S/C22H19NO9/c24-18(30-16-8-6-13-3-1-2-4-14(13)19(16)25)11-23-10-12-5-7-15-17(9-12)32-22(31-15,20(26)27)21(28)29/h1-9,18,23-25H,10-11H2,(H,26,27)(H,28,29)