1-ethylsulfonylethane; (4-methylphenyl)methylphosphonic acid

Systemtic Name: 1-ethylsulfonylethane; (4-methylphenyl)methylphosphonic acid Openeye Name: 1-ethylsulfonylethane; p-tolylmethylphosphonic acid CAS Name: 1-ethylsulfonylethane; (4-methylphenyl)methylphosphonic acid IUPAC Name: 1-ethylsulfonylethane; (4-methylphenyl)methylphosphonic acid Traditional Name: 1-esylethane; (4-methylbenzyl)phosphonic acid Formula: C12H21O5PS MolecularWeight: 308.330901

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC.CC1=CC=C(C=C1)CP(=O)(O)O

Isomeric SMILES

CCS(=O)(=O)CC.CC1=CC=C(C=C1)CP(=O)(O)O

InChI

InChI=1S/C8H11O3P.C4H10O2S/c1-7-2-4-8(5-3-7)6-12(9,10)11;1-3-7(5,6)4-2/h2-5H,6H2,1H3,(H2,9,10,11);3-4H2,1-2H3