5,7-bis(ditert-butylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(ditert-butylsulfamoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(ditert-butylsulfamoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(ditert-butylsulfamoyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(ditert-butylsulfamoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(ditert-butylsulfamoyl)-9-keto-xanthene-2-carboxylic acid Formula: C30H42N2O8S2 MolecularWeight: 622.79308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(C)(C)C)S(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)N(C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)N(C(C)(C)C)S(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)N(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C30H42N2O8S2/c1-27(2,3)31(28(4,5)6)41(36,37)19-16-21-24(33)20-15-18(26(34)35)13-14-22(20)40-25(21)23(17-19)42(38,39)32(29(7,8)9)30(10,11)12/h13-17H,1-12H3,(H,34,35)