1-(4-bromophenyl)sulfanyl-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione

Systemtic Name: 1-(4-bromophenyl)sulfanyl-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Openeye Name: 1-(4-bromophenyl)sulfanyl-2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione CAS Name: 1-[(4-bromophenyl)thio]-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione IUPAC Name: 1-(4-bromophenyl)sulfanyl-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Traditional Name: 1-[(4-bromophenyl)thio]-2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-quinone Formula: C25H25BrO2S MolecularWeight: 469.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrO2S/c1-14(2)20-22(27)23(28)21-17-6-5-13-25(3,4)19(17)12-11-18(21)24(20)29-16-9-7-15(26)8-10-16/h7-12,14H,5-6,13H2,1-4H3