(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate; 4-(thiolan-1-ium-1-yl)phenol

Systemtic Name: (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate; 4-(thiolan-1-ium-1-yl)phenol Openeye Name: (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate; 4-(1-thiolan-1-iumyl)phenol IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate; 4-(thiolan-1-ium-1-yl)phenol Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol Formula: C20H28O5S2 MolecularWeight: 412.56332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CC[S+](C1)C2=CC=C(C=C2)O

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1CC[S+](C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H16O4S.C10H12OS/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-9-3-5-10(6-4-9)12-7-1-2-8-12/h7H,3-6H2,1-2H3,(H,12,13,14);3-6H,1-2,7-8H2