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

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

CCOC1=CC=CC(=C1O)C2C(=CCC3C2(C(=O)C=C(C3=O)C)Br)C=C

Isomeric SMILES

CCOC1=CC=CC(=C1O)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)Br)C=C

InChI

InChI=1S/C21H21BrO4/c1-4-13-9-10-15-19(24)12(3)11-17(23)21(15,22)18(13)14-7-6-8-16(20(14)25)26-5-2/h4,6-9,11,15,18,25H,1,5,10H2,2-3H3/t15-,18+,21+/m0/s1