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

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-nitro-3-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (2-nitro-3-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (2-nitro-3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-nitro-3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-myristyloxy-2-nitro-phenyl) hydrogen phosphate Formula: C31H44N2O7PS+ MolecularWeight: 619.729021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H43N2O7PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-38-28-21-18-22-29(30(28)33(34)35)40-41(36,37)39-27-20-16-15-19-26(27)31-32(3)25(2)24-42-31/h15-16,18-22,24H,4-14,17,23H2,1-3H3/p+1