4-methylbenzenesulfonate; 8-(thiolan-1-ium-1-yl)naphthalen-2-ol

Systemtic Name: 4-methylbenzenesulfonate; 8-(thiolan-1-ium-1-yl)naphthalen-2-ol Openeye Name: 4-methylbenzenesulfonate; 8-tetrahydrothiophen-1-ium-1-ylnaphthalen-2-ol CAS Name: 4-methylbenzenesulfonate; 8-(1-thiolan-1-iumyl)-2-naphthalenol IUPAC Name: 4-methylbenzenesulfonate; 8-(thiolan-1-ium-1-yl)naphthalen-2-ol Traditional Name: 8-tetrahydrothiophen-1-ium-1-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-].C1CC[S+](C1)C2=CC=CC3=C2C=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[S+](C1)C2=CC=CC3=C2C=C(C=C3)O

InChI

InChI=1S/C14H14OS.C7H8O3S/c15-12-7-6-11-4-3-5-14(13(11)10-12)16-8-1-2-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10H,1-2,8-9H2;2-5H,1H3,(H,8,9,10)