(4aR,8R,8aS)-8-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-7-ethenyl-3,8a-diphenyl-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-diphenyl-5,8-dihydro-4aH-naphthalene-1,4-dione Openeye Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxy-phenyl)-3,8a-diphenyl-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-diphenyl-5,8-dihydro-4aH-naphthalene-1,4-dione IUPAC Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxyphenyl)-7-ethenyl-3,8a-diphenyl-5,8-dihydro-4aH-naphthalene-1,4-dione Traditional Name: (4aR,8R,8aS)-8-(5-bromo-2-hydroxy-3-methoxy-phenyl)-3,8a-diphenyl-7-vinyl-5,8-dihydro-4aH-naphthalene-1,4-quinone Formula: C31H25BrO4 MolecularWeight: 541.4318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C2C(=CCC3C2(C(=O)C=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C=C)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C=C)O

InChI

InChI=1S/C31H25BrO4/c1-3-19-14-15-25-29(34)23(20-10-6-4-7-11-20)18-27(33)31(25,21-12-8-5-9-13-21)28(19)24-16-22(32)17-26(36-2)30(24)35/h3-14,16-18,25,28,35H,1,15H2,2H3/t25-,28+,31-/m0/s1