disodium 4,4-dimethyl-3-pentoxycarbonyl-3-sulfonato-hexanoate

Systemtic Name: disodium 4,4-dimethyl-3-pentoxycarbonyl-3-sulfonato-hexanoate Openeye Name: disodium 4,4-dimethyl-3-pentoxycarbonyl-3-sulfonato-hexanoate CAS Name: disodium 4,4-dimethyl-3-[oxo(pentoxy)methyl]-3-sulfonatohexanoate IUPAC Name: disodium 4,4-dimethyl-3-pentoxycarbonyl-3-sulfonatohexanoate Traditional Name: disodium 3-amoxycarbonyl-4,4-dimethyl-3-sulfonato-hexanoate Formula: C14H24Na2O7S MolecularWeight: 382.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S.2Na/c1-5-7-8-9-21-12(17)14(10-11(15)16,22(18,19)20)13(3,4)6-2;;/h5-10H2,1-4H3,(H,15,16)(H,18,19,20);;/q;2*+1/p-2