[3-[(4-tert-butylphenyl)sulfonyloxymethyl]-8-methyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate

Systemtic Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-8-methyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-8-methyl-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-8-methyl-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-8-methyl-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-4-keto-8-methyl-thiochroman-3-yl]methyl ester Formula: C32H38O7S3 MolecularWeight: 630.83492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SCC(C2=O)(COS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1SCC(C2=O)(COS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H38O7S3/c1-22-9-8-10-27-28(22)40-21-32(29(27)33,19-38-41(34,35)25-15-11-23(12-16-25)30(2,3)4)20-39-42(36,37)26-17-13-24(14-18-26)31(5,6)7/h8-18H,19-21H2,1-7H3