3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxyphenyl)methylsulfanyl]chromene

Systemtic Name: 3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxyphenyl)methylsulfanyl]chromene Openeye Name: 3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxyphenyl)methylsulfanyl]chromene CAS Name: 3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxyphenyl)methylthio]-1-benzopyran IUPAC Name: 3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxyphenyl)methylsulfanyl]chromene Traditional Name: 3-fluoranyl-2,2-dimethyl-6-[(3,4,5-trimethoxybenzyl)thio]chromene Formula: C21H23FO4S MolecularWeight: 389.470858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=C(O1)C=CC(=C2)SCC3=CC(=C(C(=C3)OC)OC)OC)F)C

Isomeric SMILES

CC1(C(=CC2=C(O1)C=CC(=C2)SCC3=CC(=C(C(=C3)OC)OC)OC)[18F])C

InChI

InChI=1S/C21H23FO4S/c1-21(2)19(22)11-14-10-15(6-7-16(14)26-21)27-12-13-8-17(23-3)20(25-5)18(9-13)24-4/h6-11H,12H2,1-5H3/i22-1