6-dodecoxy-4-oxidanylidene-3-sulfo-hexanoic acid

Systemtic Name: 6-dodecoxy-4-oxidanylidene-3-sulfo-hexanoic acid Openeye Name: 6-dodecoxy-4-oxo-3-sulfo-hexanoic acid CAS Name: 6-dodecoxy-4-oxo-3-sulfohexanoic acid IUPAC Name: 6-dodecoxy-4-oxo-3-sulfohexanoic acid Traditional Name: 4-keto-6-lauryloxy-3-sulfo-hexanoic acid Formula: C18H34O7S MolecularWeight: 394.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H34O7S/c1-2-3-4-5-6-7-8-9-10-11-13-25-14-12-16(19)17(15-18(20)21)26(22,23)24/h17H,2-15H2,1H3,(H,20,21)(H,22,23,24)