disodium; 4,5-bis(oxidanyl)benzene-1,3-disulfonate; pentane-2,4-dione

Systemtic Name: disodium; 4,5-bis(oxidanyl)benzene-1,3-disulfonate; pentane-2,4-dione Openeye Name: disodium; 4,5-dihydroxybenzene-1,3-disulfonate; pentane-2,4-dione CAS Name: disodium; 4,5-dihydroxybenzene-1,3-disulfonate; pentane-2,4-dione IUPAC Name: disodium; 4,5-dihydroxybenzene-1,3-disulfonate; pentane-2,4-dione Traditional Name: disodium; 4,5-dihydroxybenzene-1,3-disulfonate; pentane-2,4-dione Formula: C11H12Na2O10S2 MolecularWeight: 414.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C.C1=C(C=C(C(=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)CC(=O)C.C1=C(C=C(C(=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C6H6O8S2.C5H8O2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;1-4(6)3-5(2)7;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);3H2,1-2H3;;/q;;2*+1/p-2