sodium 4-hexoxy-2-hexoxysulfonyl-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-hexoxy-2-hexoxysulfonyl-4-oxidanylidene-butanoate Openeye Name: sodium 4-hexoxy-2-hexoxysulfonyl-4-oxo-butanoate CAS Name: sodium 4-hexoxy-2-hexoxysulfonyl-4-oxobutanoate IUPAC Name: sodium 4-hexoxy-2-hexoxysulfonyl-4-oxobutanoate Traditional Name: sodium 4-hexoxy-2-hexoxysulfonyl-4-keto-butyrate Formula: C16H29NaO7S MolecularWeight: 388.45203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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