disodium 4-carboxy-4-sulfo-heptane-2,6-diolate

Systemtic Name: disodium 4-carboxy-4-sulfo-heptane-2,6-diolate Openeye Name: disodium 4-carboxy-4-sulfo-heptane-2,6-diolate CAS Name: disodium 4-carboxy-4-sulfoheptane-2,6-diolate IUPAC Name: disodium 4-carboxy-4-sulfoheptane-2,6-diolate Traditional Name: disodium 4-carboxy-4-sulfo-heptane-2,6-diolate Formula: C8H14Na2O7S MolecularWeight: 300.2371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O7S.2Na/c1-5(9)3-8(7(11)12,4-6(2)10)16(13,14)15;;/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14,15);;/q-2;2*+1