[(1S,2S)-2-acetyloxy-1-(2-bromophenyl)-2-phenanthren-9-yl-ethyl] ethanoate

Systemtic Name: [(1S,2S)-2-acetyloxy-1-(2-bromophenyl)-2-phenanthren-9-yl-ethyl] ethanoate Openeye Name: [(1S,2S)-2-acetoxy-1-(2-bromophenyl)-2-(9-phenanthryl)ethyl] acetate CAS Name: acetic acid [(1S,2S)-2-acetyloxy-1-(2-bromophenyl)-2-(9-phenanthrenyl)ethyl] ester IUPAC Name: [(1S,2S)-2-acetyloxy-1-(2-bromophenyl)-2-phenanthren-9-ylethyl] acetate Traditional Name: acetic acid [(1S,2S)-2-acetoxy-1-(2-bromophenyl)-2-(9-phenanthryl)ethyl] ester Formula: C26H21BrO4 MolecularWeight: 477.34654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1Br)C(C2=CC3=CC=CC=C3C4=CC=CC=C42)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1Br)[C@H](C2=CC3=CC=CC=C3C4=CC=CC=C42)OC(=O)C

InChI

InChI=1S/C26H21BrO4/c1-16(28)30-25(22-13-7-8-14-24(22)27)26(31-17(2)29)23-15-18-9-3-4-10-19(18)20-11-5-6-12-21(20)23/h3-15,25-26H,1-2H3/t25-,26-/m0/s1