[2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 2-methylpropane-1-sulfonate

Systemtic Name: [2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 2-methylpropane-1-sulfonate Openeye Name: [2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: [2-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid [2-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C15H25O5PS3 MolecularWeight: 412.524761

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)SC1=CC=CC=C1OS(=O)(=O)CC(C)C

Isomeric SMILES

CCCSP(=O)(OCC)SC1=CC=CC=C1OS(=O)(=O)CC(C)C

InChI

InChI=1S/C15H25O5PS3/c1-5-11-22-21(16,19-6-2)23-15-10-8-7-9-14(15)20-24(17,18)12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3