4-methylbenzenesulfonate; 1-(thiolan-1-ium-3-yl)naphthalen-2-ol

Systemtic Name: 4-methylbenzenesulfonate; 1-(thiolan-1-ium-3-yl)naphthalen-2-ol Openeye Name: 4-methylbenzenesulfonate; 1-tetrahydrothiophen-1-ium-3-ylnaphthalen-2-ol CAS Name: 4-methylbenzenesulfonate; 1-(3-thiolan-1-iumyl)-2-naphthalenol IUPAC Name: 4-methylbenzenesulfonate; 1-(thiolan-1-ium-3-yl)naphthalen-2-ol Traditional Name: 1-tetrahydrothiophen-1-ium-3-yl-2-naphthol tosylate Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[SH+]CC1C2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[SH+]CC1C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C14H14OS.C7H8O3S/c15-13-6-5-10-3-1-2-4-12(10)14(13)11-7-8-16-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,11,15H,7-9H2;2-5H,1H3,(H,8,9,10)