3-nitro-5-sulfo-naphthalene-1,2-dicarboxylic acid

Systemtic Name: 3-nitro-5-sulfo-naphthalene-1,2-dicarboxylic acid Openeye Name: 3-nitro-5-sulfo-naphthalene-1,2-dicarboxylic acid CAS Name: 3-nitro-5-sulfonaphthalene-1,2-dicarboxylic acid IUPAC Name: 3-nitro-5-sulfonaphthalene-1,2-dicarboxylic acid Traditional Name: 3-nitro-5-sulfo-naphthalene-1,2-dicarboxylic acid Formula: C12H7NO9S MolecularWeight: 341.25028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C(=C1)S(=O)(=O)O)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C(=C1)S(=O)(=O)O)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C12H7NO9S/c14-11(15)9-5-2-1-3-8(23(20,21)22)6(5)4-7(13(18)19)10(9)12(16)17/h1-4H,(H,14,15)(H,16,17)(H,20,21,22)