4-methylbenzenesulfonic acid; pentane-2,4-dione

Systemtic Name: 4-methylbenzenesulfonic acid; pentane-2,4-dione Openeye Name: 4-methylbenzenesulfonic acid; pentane-2,4-dione CAS Name: 4-methylbenzenesulfonic acid; pentane-2,4-dione IUPAC Name: 4-methylbenzenesulfonic acid; pentane-2,4-dione Traditional Name: pentane-2,4-dione; tosylic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H8O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(6)3-5(2)7/h2-5H,1H3,(H,8,9,10);3H2,1-2H3