[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 2,4-dimethylbenzenesulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 2,4-dimethylbenzenesulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C19H25O6PS2 MolecularWeight: 444.501961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O6PS2/c1-5-12-27-26(20,23-6-2)24-17-8-7-9-18(14-17)25-28(21,22)19-11-10-15(3)13-16(19)4/h7-11,13-14H,5-6,12H2,1-4H3