3-chloranyl-7-nitro-dibenzothiophene-2,8-dicarboxylic acid

Systemtic Name: 3-chloranyl-7-nitro-dibenzothiophene-2,8-dicarboxylic acid Openeye Name: 3-chloro-7-nitro-dibenzothiophene-2,8-dicarboxylic acid CAS Name: 3-chloro-7-nitrodibenzothiophene-2,8-dicarboxylic acid IUPAC Name: 3-chloro-7-nitrodibenzothiophene-2,8-dicarboxylic acid Traditional Name: 3-chloro-7-nitro-dibenzothiophene-2,8-dicarboxylic acid Formula: C14H6ClNO6S MolecularWeight: 351.71854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C3=CC(=C(C=C3SC2=CC(=C1C(=O)O)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=C2C3=CC(=C(C=C3SC2=CC(=C1C(=O)O)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C14H6ClNO6S/c15-9-3-11-5(1-7(9)13(17)18)6-2-8(14(19)20)10(16(21)22)4-12(6)23-11/h1-4H,(H,17,18)(H,19,20)