5-(3-iodanylpropanoyloxy)-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 5-(3-iodanylpropanoyloxy)-2,4-dimethyl-benzenesulfonic acid Openeye Name: 5-(3-iodopropanoyloxy)-2,4-dimethyl-benzenesulfonic acid CAS Name: 5-(3-iodo-1-oxopropoxy)-2,4-dimethylbenzenesulfonic acid IUPAC Name: 5-(3-iodopropanoyloxy)-2,4-dimethylbenzenesulfonic acid Traditional Name: 5-(3-iodopropanoyloxy)-2,4-dimethyl-besylic acid Formula: C11H13IO5S MolecularWeight: 384.18739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCI)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCI)S(=O)(=O)O)C

InChI

InChI=1S/C11H13IO5S/c1-7-5-8(2)10(18(14,15)16)6-9(7)17-11(13)3-4-12/h5-6H,3-4H2,1-2H3,(H,14,15,16)