[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-nitro-phenyl) hydrogen phosphate

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-nitro-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-nitro-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-dodecoxy-2-nitrophenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-dodecoxy-2-nitrophenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-lauryloxy-2-nitro-phenyl) hydrogen phosphate Formula: C29H40N2O7PS+ MolecularWeight: 591.675861

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H39N2O7PS/c1-4-5-6-7-8-9-10-11-12-15-21-36-26-19-16-20-27(28(26)31(32)33)38-39(34,35)37-25-18-14-13-17-24(25)29-30(3)23(2)22-40-29/h13-14,16-20,22H,4-12,15,21H2,1-3H3/p+1