4-methylbenzenesulfonate; 1-phenylpentan-1-one

Systemtic Name: 4-methylbenzenesulfonate; 1-phenylpentan-1-one Openeye Name: 4-methylbenzenesulfonate; 1-phenylpentan-1-one CAS Name: 4-methylbenzenesulfonate; 1-phenyl-1-pentanone IUPAC Name: 4-methylbenzenesulfonate; 1-phenylpentan-1-one Traditional Name: 1-phenylpentan-1-one tosylate Formula: C18H21O4S- MolecularWeight: 333.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14O.C7H8O3S/c1-2-3-9-11(12)10-7-5-4-6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,2-3,9H2,1H3;2-5H,1H3,(H,8,9,10)/p-1