4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate

Systemtic Name: 4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate Openeye Name: 4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate CAS Name: 4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate IUPAC Name: 4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate Traditional Name: 4-[2,3,5,6-tetracarboxy-4-(4-sulfinatophenyl)phenyl]benzenesulfinate Formula: C22H12O12S2-2 MolecularWeight: 532.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)S(=O)[O-])C(=O)O)C(=O)O)S(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C(=C2C(=O)O)C(=O)O)C3=CC=C(C=C3)S(=O)[O-])C(=O)O)C(=O)O)S(=O)[O-]

InChI

InChI=1S/C22H14O12S2/c23-19(24)15-13(9-1-5-11(6-2-9)35(31)32)16(20(25)26)18(22(29)30)14(17(15)21(27)28)10-3-7-12(8-4-10)36(33)34/h1-8H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)/p-2