2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-yl ethanoate

Systemtic Name: 2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-yl ethanoate Openeye Name: [1-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]-1-methyl-ethyl] acetate CAS Name: acetic acid 2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-yl ester IUPAC Name: 2-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]propan-2-yl acetate Traditional Name: acetic acid [1-[2-(3,3-dimethyl-2,1-benzoxathiol-1-ium-1-yl)phenyl]-1-methyl-ethyl] ester Formula: C20H23O3S+ MolecularWeight: 343.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23O3S/c1-14(21)22-19(2,3)15-10-6-8-12-17(15)24-18-13-9-7-11-16(18)20(4,5)23-24/h6-13H,1-5H3/q+1