ethyl (5-methyl-2-nitro-phenyl)sulfanyl hydrogen phosphate

Systemtic Name: ethyl (5-methyl-2-nitro-phenyl)sulfanyl hydrogen phosphate Openeye Name: ethyl (5-methyl-2-nitro-phenyl)sulfanyl hydrogen phosphate CAS Name: 5-methyl-2-nitrobenzenesulfenic acid [ethoxy(hydroxy)phosphoryl] ester IUPAC Name: ethyl (5-methyl-2-nitrophenyl)sulfanyl hydrogen phosphate Traditional Name: ethyl [(5-methyl-2-nitro-phenyl)thio] hydrogen phosphate Formula: C9H12NO6PS MolecularWeight: 293.233441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)OSC1=C(C=CC(=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(O)OSC1=C(C=CC(=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C9H12NO6PS/c1-3-15-17(13,14)16-18-9-6-7(2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H,13,14)