8,8-dimethyl-1-phenylsulfanyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione

Systemtic Name: 8,8-dimethyl-1-phenylsulfanyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Openeye Name: 2-isopropyl-8,8-dimethyl-1-phenylsulfanyl-6,7-dihydro-5H-phenanthrene-3,4-dione CAS Name: 8,8-dimethyl-1-(phenylthio)-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione IUPAC Name: 8,8-dimethyl-1-phenylsulfanyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Traditional Name: 2-isopropyl-8,8-dimethyl-1-(phenylthio)-6,7-dihydro-5H-phenanthrene-3,4-quinone Formula: C25H26O2S MolecularWeight: 390.53774

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26O2S/c1-15(2)20-22(26)23(27)21-17-11-8-14-25(3,4)19(17)13-12-18(21)24(20)28-16-9-6-5-7-10-16/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3