[2-methoxy-5-[methoxy(propylsulfanyl)phosphoryl]sulfanyl-phenyl] benzenesulfonate

Systemtic Name: [2-methoxy-5-[methoxy(propylsulfanyl)phosphoryl]sulfanyl-phenyl] benzenesulfonate Openeye Name: [2-methoxy-5-[methoxy(propylsulfanyl)phosphoryl]sulfanyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-5-[[methoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [2-methoxy-5-[methoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-methoxy-5-[[methoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C17H21O6PS3 MolecularWeight: 448.513801

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OC)SC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCSP(=O)(OC)SC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21O6PS3/c1-4-12-25-24(18,22-3)26-14-10-11-16(21-2)17(13-14)23-27(19,20)15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3