5-[(4-nitro-2-sulfo-phenyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-nitro-2-sulfo-phenyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-nitro-2-sulfo-anilino)benzene-1,3-dicarboxylic acid CAS Name: 5-(4-nitro-2-sulfoanilino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-nitro-2-sulfoanilino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(4-nitro-2-sulfo-anilino)isophthalic acid Formula: C14H10N2O9S MolecularWeight: 382.3022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H10N2O9S/c17-13(18)7-3-8(14(19)20)5-9(4-7)15-11-2-1-10(16(21)22)6-12(11)26(23,24)25/h1-6,15H,(H,17,18)(H,19,20)(H,23,24,25)