1-bromanylbutane; 4-methylbenzenesulfonic acid

Systemtic Name: 1-bromanylbutane; 4-methylbenzenesulfonic acid Openeye Name: 1-bromobutane; 4-methylbenzenesulfonic acid CAS Name: 1-bromobutane; 4-methylbenzenesulfonic acid IUPAC Name: 1-bromobutane; 4-methylbenzenesulfonic acid Traditional Name: 1-bromobutane; tosylic acid Formula: C11H17BrO3S MolecularWeight: 309.21988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCBr.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCBr.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C4H9Br/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5/h2-5H,1H3,(H,8,9,10);2-4H2,1H3