4-(1-dodecoxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: 4-(1-dodecoxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-(1-dodecoxyethylperoxy)-4-oxo-2-sulfo-butanoate CAS Name: 4-(1-dodecoxyethyldioxy)-4-oxo-2-sulfobutanoate IUPAC Name: 4-(1-dodecoxyethylperoxy)-4-oxo-2-sulfobutanoate Traditional Name: 4-keto-4-(1-lauryloxyethylperoxy)-2-sulfo-butyrate Formula: C18H33O9S- MolecularWeight: 425.51422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(C)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H34O9S/c1-3-4-5-6-7-8-9-10-11-12-13-25-15(2)26-27-17(19)14-16(18(20)21)28(22,23)24/h15-16H,3-14H2,1-2H3,(H,20,21)(H,22,23,24)/p-1