3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium

Systemtic Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium Openeye Name: 1-(2-isopropylphenyl)-3,3-dimethyl-2,1-benzoxathiol-1-ium CAS Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium IUPAC Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium Traditional Name: 3,3-dimethyl-1-o-cumenyl-2,1-benzoxathiol-1-ium Formula: C18H21OS+ MolecularWeight: 285.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(O2)(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(O2)(C)C

InChI

InChI=1S/C18H21OS/c1-13(2)14-9-5-7-11-16(14)20-17-12-8-6-10-15(17)18(3,4)19-20/h5-13H,1-4H3/q+1