(1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxyphenanthren-2-yl)ethane-1,2-diol

Systemtic Name: (1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxyphenanthren-2-yl)ethane-1,2-diol Openeye Name: (1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxy-2-phenanthryl)ethane-1,2-diol CAS Name: (1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxy-2-phenanthrenyl)ethane-1,2-diol IUPAC Name: (1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxyphenanthren-2-yl)ethane-1,2-diol Traditional Name: (1R,2R)-1-(2-bromophenyl)-2-(7,8-dimethoxy-2-phenanthryl)ethane-1,2-diol Formula: C24H21BrO4 MolecularWeight: 453.32514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)C(C(C4=CC=CC=C4Br)O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)[C@H]([C@@H](C4=CC=CC=C4Br)O)O)OC

InChI

InChI=1S/C24H21BrO4/c1-28-21-12-11-17-16-9-8-15(13-14(16)7-10-18(17)24(21)29-2)22(26)23(27)19-5-3-4-6-20(19)25/h3-13,22-23,26-27H,1-2H3/t22-,23-/m1/s1