[(E)-hexadec-1-enyl] 2-sulfooxyethanoate

Systemtic Name: [(E)-hexadec-1-enyl] 2-sulfooxyethanoate Openeye Name: [(E)-hexadec-1-enyl] 2-sulfooxyacetate CAS Name: 2-sulfooxyacetic acid [(E)-hexadec-1-enyl] ester IUPAC Name: [(E)-hexadec-1-enyl] 2-sulfooxyacetate Traditional Name: 2-sulfoxyacetic acid [(E)-hexadec-1-enyl] ester Formula: C18H34O6S MolecularWeight: 378.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=COC(=O)COS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/OC(=O)COS(=O)(=O)O

InChI

InChI=1S/C18H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(19)17-24-25(20,21)22/h15-16H,2-14,17H2,1H3,(H,20,21,22)/b16-15+