(5-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (5-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (5-dodecoxy-1-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (5-dodecoxy-1-naphthalenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (5-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (5-lauryloxy-1-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H41NO5PS+ MolecularWeight: 582.710401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC2=C1C=CC=C2OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC2=C1C=CC=C2OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4

InChI

InChI=1S/C32H40NO5PS/c1-2-3-4-5-6-7-8-9-10-11-22-36-31-19-13-18-30-29(31)17-14-20-32(30)38-39(34,35)37-28-16-12-15-27(24-28)25-33-21-23-40-26-33/h12-21,23-24,26H,2-11,22,25H2,1H3/p+1