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

Systemtic Name: (3aS,6aS)-2,5-bis[(4-tert-butylphenyl)sulfanyl]-3a,6a-dimethyl-1,4-dihydropentalene Openeye Name: (3aS,6aS)-2,5-bis[(4-tert-butylphenyl)sulfanyl]-3a,6a-dimethyl-1,4-dihydropentalene CAS Name: (3aS,6aS)-2,5-bis[(4-tert-butylphenyl)thio]-3a,6a-dimethyl-1,4-dihydropentalene IUPAC Name: (3aS,6aS)-2,5-bis[(4-tert-butylphenyl)sulfanyl]-3a,6a-dimethyl-1,4-dihydropentalene Traditional Name: (3aS,6aS)-2,5-bis[(4-tert-butylphenyl)thio]-3a,6a-dimethyl-1,4-dihydropentalene Formula: C30H38S2 MolecularWeight: 462.75272

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CC1(CC(=C2)SC3=CC=C(C=C3)C(C)(C)C)C)SC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

C[C@@]12CC(=C[C@@]1(CC(=C2)SC3=CC=C(C=C3)C(C)(C)C)C)SC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H38S2/c1-27(2,3)21-9-13-23(14-10-21)31-25-17-29(7)19-26(20-30(29,8)18-25)32-24-15-11-22(12-16-24)28(4,5)6/h9-17,20H,18-19H2,1-8H3/t29-,30+/m1/s1