[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-nitro-phenyl) hydrogen phosphate

Systemtic Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-nitro-phenyl) hydrogen phosphate Openeye Name: [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-nitro-phenyl) hydrogen phosphate CAS Name: [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] (3-hexadecoxy-2-nitrophenyl) hydrogen phosphate IUPAC Name: [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-nitrophenyl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-nitro-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H48N2O7PS+ MolecularWeight: 647.782181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C33H47N2O7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-40-30-23-20-24-31(32(30)35(36)37)42-43(38,39)41-29-22-18-17-21-28(29)33-34(3)26-27(2)44-33/h17-18,20-24,26H,4-16,19,25H2,1-3H3/p+1