[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C17H20NO8PS2 MolecularWeight: 461.446361

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20NO8PS2/c1-3-11-28-27(21,24-4-2)25-15-8-6-9-16(13-15)26-29(22,23)17-10-5-7-14(12-17)18(19)20/h5-10,12-13H,3-4,11H2,1-2H3