(4aS,8R,8aR)-8a-bromanyl-8-(3,5-dimethyl-4-oxidanyl-phenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-8-(3,5-dimethyl-4-oxidanyl-phenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H21BrO3 MolecularWeight: 401.29364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C(=CCC3C2(C(=O)C=C(C3=O)C)Br)C=C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)Br)C=C

InChI

InChI=1S/C21H21BrO3/c1-5-14-6-7-16-20(25)13(4)10-17(23)21(16,22)18(14)15-8-11(2)19(24)12(3)9-15/h5-6,8-10,16,18,24H,1,7H2,2-4H3/t16-,18+,21+/m0/s1