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

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-8-(5-chloranyl-2-oxidanyl-phenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(5-chloro-2-hydroxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-8-(5-chloro-2-hydroxyphenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-8-(5-chloro-2-hydroxyphenyl)-7-ethenyl-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(5-chloro-2-hydroxy-phenyl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C19H16BrClO3 MolecularWeight: 407.68554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(C(C1=O)CC=C(C2C3=C(C=CC(=C3)Cl)O)C=C)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClO3/c1-3-11-4-6-14-18(24)10(2)8-16(23)19(14,20)17(11)13-9-12(21)5-7-15(13)22/h3-5,7-9,14,17,22H,1,6H2,2H3/t14-,17+,19+/m0/s1