[(2S,5S)-5-tert-butyl-2-methyl-cyclohexylidene]-phenyl-sulfanium methanoate

Systemtic Name: [(2S,5S)-5-tert-butyl-2-methyl-cyclohexylidene]-phenyl-sulfanium methanoate Openeye Name: [(2S,5S)-5-tert-butyl-2-methyl-cyclohexylidene]-phenyl-sulfonium formate CAS Name: [(2S,5S)-5-tert-butyl-2-methylcyclohexylidene]-phenylsulfonium formate IUPAC Name: [(2S,5S)-5-tert-butyl-2-methylcyclohexylidene]-phenylsulfanium formate Traditional Name: [(2S,5S)-5-tert-butyl-2-methyl-cyclohexylidene]-phenyl-sulfonium formate Formula: C18H26O2S MolecularWeight: 306.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1=[S+]C2=CC=CC=C2)C(C)(C)C.C(=O)[O-]

Isomeric SMILES

C[C@H]1CC[C@@H](CC1=[S+]C2=CC=CC=C2)C(C)(C)C.C(=O)[O-]

InChI

InChI=1S/C17H25S.CH2O2/c1-13-10-11-14(17(2,3)4)12-16(13)18-15-8-6-5-7-9-15;2-1-3/h5-9,13-14H,10-12H2,1-4H3;1H,(H,2,3)/q+1;/p-1/t13-,14-;/m0./s1