[3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate Openeye Name: [3-[ethoxy(isobutylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [3-[ethoxy-(2-methylpropylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [3-[ethoxy-(isobutylthio)phosphoryl]oxyphenyl] ester Formula: C18H22NO8PS2 MolecularWeight: 475.472941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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