(2-methoxy-3-tetradecoxy-phenyl) [3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-phenyl) [3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C32H47NO6PS+ MolecularWeight: 604.757441

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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=C3C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3C)OC

InChI

InChI=1S/C32H46NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-37-30-20-17-21-31(32(30)36-3)39-40(34,35)38-29-19-16-18-28(23-29)24-33-26-41-25-27(33)2/h16-21,23,25-26H,4-15,22,24H2,1-3H3/p+1