[4-[butylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[butylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[butylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[[(butylthio)-ethoxyphosphoryl]thio]phenyl] ester IUPAC Name: [4-[butylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[[(butylthio)-ethoxy-phosphoryl]thio]phenyl] ester Formula: C18H22NO7PS3 MolecularWeight: 491.538541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22NO7PS3/c1-3-5-14-28-27(22,25-4-2)29-17-10-8-16(9-11-17)26-30(23,24)18-12-6-15(7-13-18)19(20)21/h6-13H,3-5,14H2,1-2H3