6-[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-2,2-dimethyl-chromene

Systemtic Name: 6-[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-2,2-dimethyl-chromene Openeye Name: 6-[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-2,2-dimethyl-chromene CAS Name: 6-[[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]thio]-2,2-dimethyl-1-benzopyran IUPAC Name: 6-[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl-2,2-dimethylchromene Traditional Name: 6-[[2-fluoranyl-1-(3,4,5-trimethoxyphenyl)ethyl]thio]-2,2-dimethyl-chromene Formula: C22H25FO4S MolecularWeight: 403.497438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2)SC(CF)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2)SC(C[18F])C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C22H25FO4S/c1-22(2)9-8-14-10-16(6-7-17(14)27-22)28-20(13-23)15-11-18(24-3)21(26-5)19(12-15)25-4/h6-12,20H,13H2,1-5H3/i23-1