[3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6,8-dimethyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate

Systemtic Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6,8-dimethyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6,8-dimethyl-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6,8-dimethyl-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6,8-dimethyl-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-4-keto-6,8-dimethyl-thiochroman-3-yl]methyl ester Formula: C33H40O7S3 MolecularWeight: 644.8615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CS2)(COS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(CS2)(COS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C33H40O7S3/c1-22-17-23(2)29-28(18-22)30(34)33(21-41-29,19-39-42(35,36)26-13-9-24(10-14-26)31(3,4)5)20-40-43(37,38)27-15-11-25(12-16-27)32(6,7)8/h9-18H,19-21H2,1-8H3