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

Systemtic Name: [3-[(5-ethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [3-[(5-ethylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [3-[(5-ethyl-3-thiazol-3-iumyl)methyl]phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [3-[(5-ethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [3-[(5-ethylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-myristyloxy-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)C[N+]3=CSC(=C3)CC)OC

Isomeric SMILES

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

InChI

InChI=1S/C33H48NO6PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-38-31-21-18-22-32(33(31)37-3)40-41(35,36)39-29-20-17-19-28(24-29)25-34-26-30(5-2)42-27-34/h17-22,24,26-27H,4-16,23,25H2,1-3H3/p+1