methyl 8-bromanyl-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylate

Systemtic Name: methyl 8-bromanyl-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylate Openeye Name: methyl 8-bromo-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylate CAS Name: 8-bromo-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl 8-bromo-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylate Traditional Name: 8-bromo-5,6-dimethoxy-4,9,10,10a-tetrahydro-1H-phenanthrene-4a-carboxylic acid methyl ester Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CCC3CC=CCC3(C2=C1OC)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C2CCC3CC=CCC3(C2=C1OC)C(=O)OC)Br

InChI

InChI=1S/C18H21BrO4/c1-21-14-10-13(19)12-8-7-11-6-4-5-9-18(11,17(20)23-3)15(12)16(14)22-2/h4-5,10-11H,6-9H2,1-3H3