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

Systemtic Name: disodium 3-decoxycarbonyl-4,4-dimethyl-3-sulfonato-hexanoate Openeye Name: disodium 3-decoxycarbonyl-4,4-dimethyl-3-sulfonato-hexanoate CAS Name: disodium 3-[decoxy(oxo)methyl]-4,4-dimethyl-3-sulfonatohexanoate IUPAC Name: disodium 3-decoxycarbonyl-4,4-dimethyl-3-sulfonatohexanoate Traditional Name: disodium 3-decoxycarbonyl-4,4-dimethyl-3-sulfonato-hexanoate Formula: C19H34Na2O7S MolecularWeight: 452.5136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36O7S.2Na/c1-5-7-8-9-10-11-12-13-14-26-17(22)19(15-16(20)21,27(23,24)25)18(3,4)6-2;;/h5-15H2,1-4H3,(H,20,21)(H,23,24,25);;/q;2*+1/p-2