disodium 4-dodecan-4-yloxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-dodecan-4-yloxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-oxo-4-(1-propylnonoxy)-3-sulfonato-butanoate CAS Name: disodium 4-dodecan-4-yloxy-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-dodecan-4-yloxy-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(1-propylnonoxy)-3-sulfonato-butyrate Formula: C16H28Na2O7S MolecularWeight: 410.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.2Na/c1-3-5-6-7-8-9-11-13(10-4-2)23-16(19)14(12-15(17)18)24(20,21)22;;/h13-14H,3-12H2,1-2H3,(H,17,18)(H,20,21,22);;/q;2*+1/p-2