(4-methylsulfanylphenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate

Systemtic Name: (4-methylsulfanylphenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Openeye Name: (4-methylsulfanylphenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid [4-(methylthio)phenyl] ester Formula: C18H23O6PS3 MolecularWeight: 462.540381

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)SC

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23O6PS3/c1-4-14-27-25(19,22-5-2)23-15-8-12-18(13-9-15)28(20,21)24-16-6-10-17(26-3)11-7-16/h6-13H,4-5,14H2,1-3H3