[3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoranyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate

Systemtic Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoranyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoro-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoro-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoro-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-fluoro-4-keto-thiochroman-3-yl]methyl ester Formula: C31H35FO7S3 MolecularWeight: 634.798803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=C(C2=O)C=C(C=C3)F)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC2(CSC3=C(C2=O)C=C(C=C3)F)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H35FO7S3/c1-29(2,3)21-7-12-24(13-8-21)41(34,35)38-18-31(20-40-27-16-11-23(32)17-26(27)28(31)33)19-39-42(36,37)25-14-9-22(10-15-25)30(4,5)6/h7-17H,18-20H2,1-6H3