disodium 4-dodecoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-dodecoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-dodecoxy-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-dodecoxy-4-oxo-3-sulfobutanoate IUPAC Name: disodium 4-dodecoxy-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-lauryloxy-3-sulfo-butyrate Formula: C16H29Na2O7S+ MolecularWeight: 411.4418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;;/h14H,2-13H2,1H3,(H,17,18)(H,20,21,22);;/q;2*+1/p-1