(4aS,8R,8aR)-8a-bromanyl-7-ethenyl-3-methyl-8-(6-oxidanyl-4H-chromen-3-yl)-5,8-dihydro-4aH-naphthalene-1,4-dione

Systemtic Name: (4aS,8R,8aR)-8a-bromanyl-7-ethenyl-3-methyl-8-(6-oxidanyl-4H-chromen-3-yl)-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aS,8R,8aR)-8a-bromo-8-(6-hydroxy-4H-chromen-3-yl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-dione CAS Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(6-hydroxy-4H-1-benzopyran-3-yl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aS,8R,8aR)-8a-bromo-7-ethenyl-8-(6-hydroxy-4H-chromen-3-yl)-3-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aS,8R,8aR)-8a-bromo-8-(6-hydroxy-4H-chromen-3-yl)-3-methyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(C(C1=O)CC=C(C2C3=COC4=C(C3)C=C(C=C4)O)C=C)Br

Isomeric SMILES

CC1=CC(=O)[C@@]2([C@H](C1=O)CC=C([C@@H]2C3=COC4=C(C3)C=C(C=C4)O)C=C)Br

InChI

InChI=1S/C22H19BrO4/c1-3-13-4-6-17-21(26)12(2)8-19(25)22(17,23)20(13)15-9-14-10-16(24)5-7-18(14)27-11-15/h3-5,7-8,10-11,17,20,24H,1,6,9H2,2H3/t17-,20+,22+/m0/s1