methyl (8aR,9S)-1,5-bis(bromanyl)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate

Systemtic Name: methyl (8aR,9S)-1,5-bis(bromanyl)-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Openeye Name: methyl (8aR,9S)-1,5-dibromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate CAS Name: (8aR,9S)-1,5-dibromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid methyl ester IUPAC Name: methyl (8aR,9S)-1,5-dibromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Traditional Name: (8aR,9S)-1,5-dibromo-4-hydroxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid methyl ester Formula: C17H16Br2O5 MolecularWeight: 460.11394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC(C3CCC(=O)C(=C3C2=C1O)Br)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C2C[C@@H]([C@H]3CCC(=O)C(=C3C2=C1O)Br)C(=O)OC)Br

InChI

InChI=1S/C17H16Br2O5/c1-23-12-6-10(18)9-5-8(17(22)24-2)7-3-4-11(20)15(19)13(7)14(9)16(12)21/h6-8,21H,3-5H2,1-2H3/t7-,8+/m1/s1