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

Systemtic Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] 3-nitrobenzenesulfonate Openeye Name: [3-[ethoxy(isobutylsulfanyl)phosphoryl]sulfanylphenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [3-[[ethoxy-(2-methylpropylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [3-[[ethoxy-(isobutylthio)phosphoryl]thio]phenyl] ester Formula: C18H22NO7PS3 MolecularWeight: 491.538541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(SCC(C)C)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(SCC(C)C)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22NO7PS3/c1-4-25-27(22,28-13-14(2)3)29-17-9-6-8-16(12-17)26-30(23,24)18-10-5-7-15(11-18)19(20)21/h5-12,14H,4,13H2,1-3H3