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dimethyl (1S,4aS,10aR)-7-bromanyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylate

dimethyl (1S,4aS,10aR)-7-bromanyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylate

Systemtic Name:dimethyl (1S,4aS,10aR)-7-bromanyl-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylate
Openeye Name:dimethyl (1S,4aS,10aR)-7-bromo-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylate
CAS Name:(1S,4aS,10aR)-7-bromo-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylic acid dimethyl ester
IUPAC Name:dimethyl (1S,4aS,10aR)-7-bromo-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylate
Traditional Name:(1S,4aS,10aR)-7-bromo-1,4a-dimethyl-2,3,4,10a-tetrahydrophenanthrene-1,6-dicarboxylic acid dimethyl ester
Formula: C20H23BrO4
MolecularWeight: 407.29822
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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C=CC3=CC(=C(C=C23)C(=O)OC)Br)(C)C(=O)OC


Isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C=CC3=CC(=C(C=C23)C(=O)OC)Br)(C)C(=O)OC


InChI

InChI=1S/C20H23BrO4/c1-19-8-5-9-20(2,18(23)25-4)16(19)7-6-12-10-15(21)13(11-14(12)19)17(22)24-3/h6-7,10-11,16H,5,8-9H2,1-4H3/t16-,19-,20+/m1/s1


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