(8aR,9S)-1-bromanyl-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid

Systemtic Name: (8aR,9S)-1-bromanyl-3-methoxy-4-oxidanyl-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Openeye Name: (8aR,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid CAS Name: (8aR,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid IUPAC Name: (8aR,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Traditional Name: (8aR,9S)-1-bromo-4-hydroxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Formula: C16H15BrO5 MolecularWeight: 367.1913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO5/c1-22-13-6-12(17)11-5-10(16(20)21)8-3-2-7(18)4-9(8)14(11)15(13)19/h4,6,8,10,19H,2-3,5H2,1H3,(H,20,21)/t8-,10-/m0/s1