[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] benzenesulfonate

Systemtic Name: [3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] benzenesulfonate Openeye Name: [3-[ethoxy(sec-butylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[(butan-2-ylthio)-ethoxyphosphoryl]thio]phenyl] ester IUPAC Name: [3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[ethoxy-(sec-butylthio)phosphoryl]thio]phenyl] ester Formula: C18H23O5PS3 MolecularWeight: 446.540981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)SP(=O)(OCC)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23O5PS3/c1-4-15(3)25-24(19,22-5-2)26-17-11-9-10-16(14-17)23-27(20,21)18-12-7-6-8-13-18/h6-15H,4-5H2,1-3H3