iodanylethane; 4-methylbenzenesulfonic acid; pentanoic acid

Systemtic Name: iodanylethane; 4-methylbenzenesulfonic acid; pentanoic acid Openeye Name: iodoethane; 4-methylbenzenesulfonic acid; pentanoic acid CAS Name: iodoethane; 4-methylbenzenesulfonic acid; pentanoic acid IUPAC Name: iodoethane; 4-methylbenzenesulfonic acid; pentanoic acid Traditional Name: iodoethane; tosylic acid; valeric acid Formula: C18H33I3O5S MolecularWeight: 742.23003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)O.CCI.CCI.CCI.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(=O)O.CCI.CCI.CCI.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H10O2.3C2H5I/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5(6)7;3*1-2-3/h2-5H,1H3,(H,8,9,10);2-4H2,1H3,(H,6,7);3*2H2,1H3