1-[3-(2-ethenylphenyl)-2-methoxy-phenyl]thian-1-ium

Systemtic Name: 1-[3-(2-ethenylphenyl)-2-methoxy-phenyl]thian-1-ium Openeye Name: 1-[2-methoxy-3-(2-vinylphenyl)phenyl]tetrahydrothiopyran-1-ium CAS Name: 1-[3-(2-ethenylphenyl)-2-methoxyphenyl]thian-1-ium IUPAC Name: 1-[3-(2-ethenylphenyl)-2-methoxyphenyl]thian-1-ium Traditional Name: 1-[2-methoxy-3-(2-vinylphenyl)phenyl]tetrahydrothiopyran-1-ium Formula: C20H23OS+ MolecularWeight: 311.46102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1[S+]2CCCCC2)C3=CC=CC=C3C=C

Isomeric SMILES

COC1=C(C=CC=C1[S+]2CCCCC2)C3=CC=CC=C3C=C

InChI

InChI=1S/C20H23OS/c1-3-16-10-5-6-11-17(16)18-12-9-13-19(20(18)21-2)22-14-7-4-8-15-22/h3,5-6,9-13H,1,4,7-8,14-15H2,2H3/q+1