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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)hexan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiophen-2-ylhexan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thiolanyl)-2-hexanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)hexan-2-one Traditional Name: 1-tetrahydrothiophen-2-ylhexan-2-one; tosylic acid Formula: C17H26O4S2 MolecularWeight: 358.51594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18OS.C7H8O3S/c1-2-3-5-9(11)8-10-6-4-7-12-10;1-6-2-4-7(5-3-6)11(8,9)10/h10H,2-8H2,1H3;2-5H,1H3,(H,8,9,10)