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

Systemtic Name: 2,4-diethyl-5-sulfo-benzene-1,3-dicarboxylate Openeye Name: 2,4-diethyl-5-sulfo-benzene-1,3-dicarboxylate CAS Name: 2,4-diethyl-5-sulfobenzene-1,3-dicarboxylate IUPAC Name: 2,4-diethyl-5-sulfobenzene-1,3-dicarboxylate Traditional Name: 2,4-diethyl-5-sulfo-isophthalate Formula: C12H12O7S-2 MolecularWeight: 300.28448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)[O-])S(=O)(=O)O)CC)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)[O-])S(=O)(=O)O)CC)C(=O)[O-]

InChI

InChI=1S/C12H14O7S/c1-3-6-8(11(13)14)5-9(20(17,18)19)7(4-2)10(6)12(15)16/h5H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/p-2