4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)propan-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)propan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiophen-2-ylpropan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thiolanyl)-2-propanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)propan-2-one Traditional Name: 1-tetrahydrothiophen-2-ylacetone; tosylic acid Formula: C14H20O4S2 MolecularWeight: 316.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CC1CCCS1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CC1CCCS1

InChI

InChI=1S/C7H8O3S.C7H12OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(8)5-7-3-2-4-9-7/h2-5H,1H3,(H,8,9,10);7H,2-5H2,1H3