9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate

Systemtic Name: 9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate Openeye Name: 9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-thiochroman-4-yl]nonyl methanesulfonate CAS Name: methanesulfonic acid 9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonyl ester IUPAC Name: 9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl methanesulfonate Traditional Name: methanesulfonic acid 9-[3-(4-fluorophenyl)-7-methoxy-3-methyl-thiochroman-4-yl]nonyl ester Formula: C27H37FO4S2 MolecularWeight: 508.708683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCOS(=O)(=O)C)C=CC(=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H37FO4S2/c1-27(21-12-14-22(28)15-13-21)20-33-26-19-23(31-2)16-17-24(26)25(27)11-9-7-5-4-6-8-10-18-32-34(3,29)30/h12-17,19,25H,4-11,18,20H2,1-3H3