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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)heptan-2-one Openeye Name: 4-methylbenzenesulfonic acid; 1-tetrahydrothiophen-2-ylheptan-2-one CAS Name: 4-methylbenzenesulfonic acid; 1-(2-thiolanyl)-2-heptanone IUPAC Name: 4-methylbenzenesulfonic acid; 1-(thiolan-2-yl)heptan-2-one Traditional Name: 1-tetrahydrothiophen-2-ylheptan-2-one; tosylic acid Formula: C18H28O4S2 MolecularWeight: 372.54252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20OS.C7H8O3S/c1-2-3-4-6-10(12)9-11-7-5-8-13-11;1-6-2-4-7(5-3-6)11(8,9)10/h11H,2-9H2,1H3;2-5H,1H3,(H,8,9,10)