[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-methylbenzenesulfonate Openeye Name: [2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C18H23O6PS2 MolecularWeight: 430.475381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H23O6PS2/c1-4-14-26-25(19,22-5-2)23-17-8-6-7-9-18(17)24-27(20,21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3