(3aS,6aS)-3a,6a-dimethyl-2,5-bis(phenylsulfonyl)-1,4-dihydropentalene

Systemtic Name: (3aS,6aS)-3a,6a-dimethyl-2,5-bis(phenylsulfonyl)-1,4-dihydropentalene Openeye Name: (3aS,6aS)-2,5-bis(benzenesulfonyl)-3a,6a-dimethyl-1,4-dihydropentalene CAS Name: (3aS,6aS)-2,5-bis(benzenesulfonyl)-3a,6a-dimethyl-1,4-dihydropentalene IUPAC Name: (3aS,6aS)-2,5-bis(benzenesulfonyl)-3a,6a-dimethyl-1,4-dihydropentalene Traditional Name: (3aS,6aS)-2,5-dibesyl-3a,6a-dimethyl-1,4-dihydropentalene Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CC1(CC(=C2)S(=O)(=O)C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@]12CC(=C[C@@]1(CC(=C2)S(=O)(=O)C3=CC=CC=C3)C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22O4S2/c1-21-13-19(27(23,24)17-9-5-3-6-10-17)15-22(21,2)16-20(14-21)28(25,26)18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3/t21-,22+/m1/s1