disodium 3-methyl-5-oxidanyl-6-sulfonato-hexanoate

Systemtic Name: disodium 3-methyl-5-oxidanyl-6-sulfonato-hexanoate Openeye Name: disodium 5-hydroxy-3-methyl-6-sulfonato-hexanoate CAS Name: disodium 5-hydroxy-3-methyl-6-sulfonatohexanoate IUPAC Name: disodium 5-hydroxy-3-methyl-6-sulfonatohexanoate Traditional Name: disodium 5-hydroxy-3-methyl-6-sulfonato-hexanoate Formula: C7H12Na2O6S MolecularWeight: 270.21112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CS(=O)(=O)[O-])O)CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(CC(CS(=O)(=O)[O-])O)CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H14O6S.2Na/c1-5(3-7(9)10)2-6(8)4-14(11,12)13;;/h5-6,8H,2-4H2,1H3,(H,9,10)(H,11,12,13);;/q;2*+1/p-2