chloranylbenzene; 2-sulfobenzene-1,3-dicarboxylate

Systemtic Name: chloranylbenzene; 2-sulfobenzene-1,3-dicarboxylate Openeye Name: chlorobenzene; 2-sulfobenzene-1,3-dicarboxylate CAS Name: chlorobenzene; 2-sulfobenzene-1,3-dicarboxylate IUPAC Name: chlorobenzene; 2-sulfobenzene-1,3-dicarboxylate Traditional Name: chlorobenzene; 2-sulfoisophthalate Formula: C14H9ClO7S-2 MolecularWeight: 356.73506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)Cl.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)Cl.C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C8H6O7S.C6H5Cl/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;7-6-4-2-1-3-5-6/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-5H/p-2