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

Systemtic Name: (4aR,8S,8aS)-8-[2,3-bis(bromanyl)-5-methoxy-4-oxidanyl-phenyl]-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aR,8S,8aS)-8-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aR,8S,8aS)-8-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aR,8S,8aS)-8-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-7-ethenyl-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aR,8S,8aS)-8-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-3,8a-dimethyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C21H20Br2O4 MolecularWeight: 496.1891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(C(C1=O)CC=C(C2C3=CC(=C(C(=C3Br)Br)O)OC)C=C)C

Isomeric SMILES

CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=CC(=C(C(=C3Br)Br)O)OC)C=C)C

InChI

InChI=1S/C21H20Br2O4/c1-5-11-6-7-13-19(25)10(2)8-15(24)21(13,3)16(11)12-9-14(27-4)20(26)18(23)17(12)22/h5-6,8-9,13,16,26H,1,7H2,2-4H3/t13-,16+,21-/m0/s1