(4-nitrophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate Openeye Name: (4-nitrophenyl) 4-[ethoxy(isobutylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[ethoxy-(2-methylpropylthio)phosphoryl]oxybenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(isobutylthio)phosphoryl]oxybenzenesulfonic acid (4-nitrophenyl) ester Formula: C18H22NO8PS2 MolecularWeight: 475.472941

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])SCC(C)C

InChI

InChI=1S/C18H22NO8PS2/c1-4-25-28(22,29-13-14(2)3)26-16-9-11-18(12-10-16)30(23,24)27-17-7-5-15(6-8-17)19(20)21/h5-12,14H,4,13H2,1-3H3