2-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylcyclohexan-1-ol

Systemtic Name: 2-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylcyclohexan-1-ol Openeye Name: 2-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylcyclohexanol CAS Name: 2-methylbenzenesulfonate; 2-(1-pyridin-1-iumyl)-1-cyclohexanol IUPAC Name: 2-methylbenzenesulfonate; 2-pyridin-1-ium-1-ylcyclohexan-1-ol Traditional Name: 2-methylbesylate; 2-pyridin-1-ium-1-ylcyclohexanol Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C1CCC(C(C1)[N+]2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C1CCC(C(C1)[N+]2=CC=CC=C2)O

InChI

InChI=1S/C11H16NO.C7H8O3S/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;1-6-4-2-3-5-7(6)11(8,9)10/h1,4-5,8-11,13H,2-3,6-7H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1