2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene

Systemtic Name: 2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene Openeye Name: 2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene CAS Name: 2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene IUPAC Name: 2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene Traditional Name: 2,5-bis[(4-tert-butylphenyl)sulfonyl]-3a,6a-dimethyl-1,6-dihydropentalene Formula: C30H38O4S2 MolecularWeight: 526.75032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38O4S2/c1-27(2,3)21-9-13-23(14-10-21)35(31,32)25-17-29(7)19-26(20-30(29,8)18-25)36(33,34)24-15-11-22(12-16-24)28(4,5)6/h9-17,19H,18,20H2,1-8H3