(4aR,8R,8aS)-8-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aR,8R,8aS)-8-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxy-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxyphenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxyphenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxy-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(C(C1=O)CC=C(C2C3=CC(=CC(=C3O)OC)Br)C=C)C

Isomeric SMILES

CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=CC(=CC(=C3O)OC)Br)C=C)C

InChI

InChI=1S/C21H21BrO4/c1-5-12-6-7-15-19(24)11(2)8-17(23)21(15,3)18(12)14-9-13(22)10-16(26-4)20(14)25/h5-6,8-10,15,18,25H,1,7H2,2-4H3/t15-,18+,21-/m0/s1