4-[4-(hydroxymethyl)-2-nitro-phenoxy]-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[4-(hydroxymethyl)-2-nitro-phenoxy]-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 1-hydroxy-4-[4-(hydroxymethyl)-2-nitro-phenoxy]naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4-[4-(hydroxymethyl)-2-nitrophenoxy]-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4-[4-(hydroxymethyl)-2-nitrophenoxy]naphthalene-2-carboxylic acid Traditional Name: 1-hydroxy-4-(4-methylol-2-nitro-phenoxy)-2-naphthoic acid Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)OC3=C(C=C(C=C3)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)OC3=C(C=C(C=C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO7/c20-9-10-5-6-15(14(7-10)19(24)25)26-16-8-13(18(22)23)17(21)12-4-2-1-3-11(12)16/h1-8,20-21H,9H2,(H,22,23)