[(E)-2-nitro-3-phenyl-prop-2-enyl] tetradecane-1-sulfonate

Systemtic Name: [(E)-2-nitro-3-phenyl-prop-2-enyl] tetradecane-1-sulfonate Openeye Name: [(E)-2-nitro-3-phenyl-allyl] tetradecane-1-sulfonate CAS Name: 1-tetradecanesulfonic acid IUPAC Name: [(E)-2-nitro-3-phenylprop-2-enyl] tetradecane-1-sulfonate Traditional Name: tetradecane-1-sulfonic acid [(E)-2-nitro-3-phenyl-allyl] ester Formula: C23H37NO5S MolecularWeight: 439.60858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)OCC(=CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)OC/C(=C\C1=CC=CC=C1)/[N+](=O)[O-]

InChI

InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-30(27,28)29-21-23(24(25)26)20-22-17-14-13-15-18-22/h13-15,17-18,20H,2-12,16,19,21H2,1H3/b23-20+