4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate

Systemtic Name: 4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate Openeye Name: 4,5-dimethyl-2-sulfo-benzene-1,3-dicarboxylate CAS Name: 4,5-dimethyl-2-sulfobenzene-1,3-dicarboxylate IUPAC Name: 4,5-dimethyl-2-sulfobenzene-1,3-dicarboxylate Traditional Name: 4,5-dimethyl-2-sulfo-isophthalate Formula: C10H8O7S-2 MolecularWeight: 272.23132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-])C

InChI

InChI=1S/C10H10O7S/c1-4-3-6(9(11)12)8(18(15,16)17)7(5(4)2)10(13)14/h3H,1-2H3,(H,11,12)(H,13,14)(H,15,16,17)/p-2