(3-hexadecoxy-2-nitro-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-nitro-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-nitrophenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-nitrophenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C32H46N2O7PS+ MolecularWeight: 633.755601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C32H45N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-39-29-22-19-23-30(31(29)34(35)36)41-42(37,38)40-28-21-17-16-20-27(28)32-33(2)24-26-43-32/h16-17,19-24,26H,3-15,18,25H2,1-2H3/p+1