(4-nitrophenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate Openeye Name: (4-nitrophenyl) 4-[ethoxy(sec-butylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[(butan-2-ylthio)-ethoxyphosphoryl]oxybenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(sec-butylthio)phosphoryl]oxybenzenesulfonic acid (4-nitrophenyl) ester Formula: C18H22NO8PS2 MolecularWeight: 475.472941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22NO8PS2/c1-4-14(3)29-28(22,25-5-2)26-16-10-12-18(13-11-16)30(23,24)27-17-8-6-15(7-9-17)19(20)21/h6-14H,4-5H2,1-3H3