(4-hexadecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxyphenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (4-hexadecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (4-cetyloxyphenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C33H49NO5PS+ MolecularWeight: 602.784621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48NO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-37-31-20-22-32(23-21-31)38-40(35,36)39-33-19-17-18-30(25-33)27-34-26-29(2)41-28-34/h17-23,25-26,28H,3-16,24,27H2,1-2H3/p+1