phosphono 4-methyl-2,6-di(propan-2-yl)benzenesulfonate

Systemtic Name: phosphono 4-methyl-2,6-di(propan-2-yl)benzenesulfonate Openeye Name: phosphono 2,6-diisopropyl-4-methyl-benzenesulfonate CAS Name: 4-methyl-2,6-di(propan-2-yl)benzenesulfonic acid phosphono ester IUPAC Name: phosphono 4-methyl-2,6-di(propan-2-yl)benzenesulfonate Traditional Name: 2,6-diisopropyl-4-methyl-benzenesulfonic acid phosphono ester Formula: C13H21O6PS MolecularWeight: 336.341001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OP(=O)(O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OP(=O)(O)O)C(C)C

InChI

InChI=1S/C13H21O6PS/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)21(17,18)19-20(14,15)16/h6-9H,1-5H3,(H2,14,15,16)