[(1R,2R)-2-acetyloxy-2-(2-bromophenyl)-1-(7,8-dimethoxyphenanthren-2-yl)ethyl] ethanoate

Systemtic Name: [(1R,2R)-2-acetyloxy-2-(2-bromophenyl)-1-(7,8-dimethoxyphenanthren-2-yl)ethyl] ethanoate Openeye Name: [(1R,2R)-2-acetoxy-2-(2-bromophenyl)-1-(7,8-dimethoxy-2-phenanthryl)ethyl] acetate CAS Name: acetic acid [(1R,2R)-2-acetyloxy-2-(2-bromophenyl)-1-(7,8-dimethoxy-2-phenanthrenyl)ethyl] ester IUPAC Name: [(1R,2R)-2-acetyloxy-2-(2-bromophenyl)-1-(7,8-dimethoxyphenanthren-2-yl)ethyl] acetate Traditional Name: acetic acid [(1R,2R)-2-acetoxy-2-(2-bromophenyl)-1-(7,8-dimethoxy-2-phenanthryl)ethyl] ester Formula: C28H25BrO6 MolecularWeight: 537.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)OC)OC)C(C4=CC=CC=C4Br)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H](C1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)OC)OC)[C@@H](C4=CC=CC=C4Br)OC(=O)C

InChI

InChI=1S/C28H25BrO6/c1-16(30)34-26(28(35-17(2)31)23-7-5-6-8-24(23)29)19-10-11-20-18(15-19)9-12-22-21(20)13-14-25(32-3)27(22)33-4/h5-15,26,28H,1-4H3/t26-,28-/m1/s1