(2,4-dimethylphenyl)methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate

Systemtic Name: (2,4-dimethylphenyl)methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Openeye Name: (2,4-dimethylphenyl)methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid (2,4-dimethylphenyl)methyl ester IUPAC Name: (2,4-dimethylphenyl)methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid (2,4-dimethylbenzyl) ester Formula: C20H27O6PS2 MolecularWeight: 458.528541

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C20H27O6PS2/c1-5-13-28-27(21,24-6-2)26-19-9-11-20(12-10-19)29(22,23)25-15-18-8-7-16(3)14-17(18)4/h7-12,14H,5-6,13,15H2,1-4H3