[(2S)-1-(4-tert-butylphenyl)sulfonylazetidin-2-yl]methanediol; rhodium; dihydrate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)sulfonylazetidin-2-yl]methanediol; rhodium; dihydrate Openeye Name: [(2S)-1-(4-tert-butylphenyl)sulfonylazetidin-2-yl]methanediol; rhodium; dihydrate CAS Name: [(2S)-1-(4-tert-butylphenyl)sulfonyl-2-azetidinyl]methanediol; rhodium; dihydrate IUPAC Name: [(2S)-1-(4-tert-butylphenyl)sulfonylazetidin-2-yl]methanediol; rhodium; dihydrate Traditional Name: [(2S)-1-(4-tert-butylphenyl)sulfonylazetidin-2-yl]methanediol; rhodium; dihydrate Formula: C56H88N4O18Rh2S4 MolecularWeight: 1439.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC2C(O)O.O.O.[Rh].[Rh]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]2C(O)O.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]2C(O)O.O.O.[Rh].[Rh]

InChI

InChI=1S/4C14H21NO4S.2H2O.2Rh/c4*1-14(2,3)10-4-6-11(7-5-10)20(18,19)15-9-8-12(15)13(16)17;;;;/h4*4-7,12-13,16-17H,8-9H2,1-3H3;2*1H2;;/t4*12-;;;;/m0000..../s1