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

Systemtic Name: [4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: [4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid [4-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid [4-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C18H22ClO6PS2 MolecularWeight: 464.920441

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C18H22ClO6PS2/c1-4-12-27-26(20,23-5-2)24-16-7-9-17(10-8-16)25-28(21,22)18-11-6-15(19)13-14(18)3/h6-11,13H,4-5,12H2,1-3H3