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

Systemtic Name: (5-bromanyl-2-methoxy-3-tetradecoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (5-bromo-2-methoxy-3-tetradecoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (5-bromo-2-methoxy-3-tetradecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (5-bromo-2-methoxy-3-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (5-bromo-2-methoxy-3-myristyloxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C32H46BrNO6PS+ MolecularWeight: 683.653501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=CC(=C1OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)Br

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=CC(=C1OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)Br

InChI

InChI=1S/C32H45BrNO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-38-30-21-28(33)22-31(32(30)37-3)40-41(35,36)39-29-18-16-17-27(20-29)24-34-23-26(2)42-25-34/h16-18,20-23,25H,4-15,19,24H2,1-3H3/p+1