[4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] phenylmethanesulfonate

Systemtic Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] phenylmethanesulfonate Openeye Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C18H23O5PS3 MolecularWeight: 446.540981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23O5PS3/c1-3-14-25-24(19,22-4-2)26-18-12-10-17(11-13-18)23-27(20,21)15-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3