[3-[ethoxy(propylsulfanyl)phosphoryl]sulfanyl-2,5-dimethyl-phenyl] benzenesulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanyl-2,5-dimethyl-phenyl] benzenesulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanyl-2,5-dimethyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[ethoxy-(propylthio)phosphoryl]thio]-2,5-dimethylphenyl] ester IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanyl-2,5-dimethylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[ethoxy-(propylthio)phosphoryl]thio]-2,5-dimethyl-phenyl] ester Formula: C19H25O5PS3 MolecularWeight: 460.567561

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)SC1=CC(=CC(=C1C)OS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCSP(=O)(OCC)SC1=CC(=CC(=C1C)OS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C19H25O5PS3/c1-5-12-26-25(20,23-6-2)27-19-14-15(3)13-18(16(19)4)24-28(21,22)17-10-8-7-9-11-17/h7-11,13-14H,5-6,12H2,1-4H3