(2-methoxy-3-tetradecoxy-phenyl) [3-[2-(5-methyl-1,3-thiazol-3-ium-3-yl)ethyl]phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[2-(5-methyl-1,3-thiazol-3-ium-3-yl)ethyl]phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[2-(5-methylthiazol-3-ium-3-yl)ethyl]phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-[2-(5-methyl-3-thiazol-3-iumyl)ethyl]phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-[2-(5-methyl-1,3-thiazol-3-ium-3-yl)ethyl]phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-phenyl) [3-[2-(5-methylthiazol-3-ium-3-yl)ethyl]phenyl] hydrogen phosphate Formula: C33H49NO6PS+ MolecularWeight: 618.784021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)CC[N+]3=CSC(=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)CC[N+]3=CSC(=C3)C)OC

InChI

InChI=1S/C33H48NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-24-38-31-20-17-21-32(33(31)37-3)40-41(35,36)39-30-19-16-18-29(25-30)22-23-34-26-28(2)42-27-34/h16-21,25-27H,4-15,22-24H2,1-3H3/p+1