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

Systemtic Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-methoxy-4-oxidanylidene-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Openeye Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-methoxy-4-oxo-thiochroman-3-yl]methyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-methoxy-4-oxo-2H-1-benzothiopyran-3-yl]methyl ester IUPAC Name: [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-6-methoxy-4-oxo-2H-thiochromen-3-yl]methyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[(4-tert-butylphenyl)sulfonyloxymethyl]-4-keto-6-methoxy-thiochroman-3-yl]methyl ester Formula: C32H38O8S3 MolecularWeight: 646.83432

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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)OC)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)OC)COS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H38O8S3/c1-30(2,3)22-8-13-25(14-9-22)42(34,35)39-19-32(21-41-28-17-12-24(38-7)18-27(28)29(32)33)20-40-43(36,37)26-15-10-23(11-16-26)31(4,5)6/h8-18H,19-21H2,1-7H3