3-oxidanylnaphthalene-2-carboxylic acid; 2,3,5,6-tetrakis(bromanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-olate

Systemtic Name: 3-oxidanylnaphthalene-2-carboxylic acid; 2,3,5,6-tetrakis(bromanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-olate Openeye Name: 3-hydroxynaphthalene-2-carboxylic acid; 2,3,5,6-tetrabromo-4-oxo-cyclohexa-1,5-dien-1-olate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid; 2,3,5,6-tetrabromo-4-oxo-1-cyclohexa-1,5-dienolate IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid; 2,3,5,6-tetrabromo-4-oxocyclohexa-1,5-dien-1-olate Traditional Name: 3-hydroxy-2-naphthoic acid; 2,3,5,6-tetrabromo-4-keto-cyclohexa-1,5-dien-1-olate Formula: C17H9Br4O5- MolecularWeight: 612.86636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O.C1(C(=C(C(=C(C1=O)Br)Br)[O-])Br)Br

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O.C1(C(=C(C(=C(C1=O)Br)Br)[O-])Br)Br

InChI

InChI=1S/C11H8O3.C6H2Br4O2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6,12H,(H,13,14);1,12H/p-1