(3-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H47NO5PS+ MolecularWeight: 588.758041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C32H46NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-36-30-19-17-21-32(26-30)38-39(34,35)37-31-20-16-18-29(25-31)27-33-22-24-40-28-33/h16-22,24-26,28H,2-15,23,27H2,1H3/p+1