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

Systemtic Name: (3-dodecoxy-2-methoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C30H43NO6PS+ MolecularWeight: 576.704281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)OC

InChI

InChI=1S/C30H42NO6PS/c1-4-5-6-7-8-9-10-11-12-13-20-35-28-18-15-19-29(30(28)34-3)37-38(32,33)36-27-17-14-16-26(21-27)23-31-22-25(2)39-24-31/h14-19,21-22,24H,4-13,20,23H2,1-3H3/p+1