[4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C18H22ClO5PS3 MolecularWeight: 480.986041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClO5PS3/c1-4-12-26-25(20,23-5-2)27-17-9-7-16(8-10-17)24-28(21,22)18-11-6-15(19)13-14(18)3/h6-11,13H,4-5,12H2,1-3H3