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

Systemtic Name: (3-dodecoxy-2-nitro-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-nitrophenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-nitrophenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-nitro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C28H38N2O7PS+ MolecularWeight: 577.649281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C28H37N2O7PS/c1-3-4-5-6-7-8-9-10-11-14-21-35-25-18-15-19-26(27(25)30(31)32)37-38(33,34)36-24-17-13-12-16-23(24)28-29(2)20-22-39-28/h12-13,15-20,22H,3-11,14,21H2,1-2H3/p+1