4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate nitrate

Systemtic Name: 4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate nitrate Openeye Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate nitrate CAS Name: 4-[(3-carboxylato-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylate nitrate IUPAC Name: 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate nitrate Traditional Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoate nitrate Formula: C23H14NO9-3 MolecularWeight: 448.35856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H16O6.NO3/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2-1(3)4/h1-10,24-25H,11H2,(H,26,27)(H,28,29);/q;-1/p-2