[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-chloranylpropane-1-sulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-chloranylpropane-1-sulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C14H22ClO6PS2 MolecularWeight: 416.877641

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)CCCCl

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)CCCCl

InChI

InChI=1S/C14H22ClO6PS2/c1-3-10-23-22(16,19-4-2)20-13-7-5-8-14(12-13)21-24(17,18)11-6-9-15/h5,7-8,12H,3-4,6,9-11H2,1-2H3