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

Systemtic Name: [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-nitro-4-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(3-methylthiazol-3-ium-2-yl)phenyl] (2-nitro-4-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(3-methyl-2-thiazol-3-iumyl)phenyl] (2-nitro-4-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] (2-nitro-4-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(3-methylthiazol-3-ium-2-yl)phenyl] (4-myristyloxy-2-nitro-phenyl) hydrogen phosphate Formula: C30H42N2O7PS+ MolecularWeight: 605.702441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-37-25-19-20-29(27(24-25)32(33)34)39-40(35,36)38-28-18-15-14-17-26(28)30-31(2)21-23-41-30/h14-15,17-21,23-24H,3-13,16,22H2,1-2H3/p+1