(1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[2-[bis(4-bromophenyl)amino]-5-bromanyl-phenyl]propane-1,3-diol

Systemtic Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[2-[bis(4-bromophenyl)amino]-5-bromanyl-phenyl]propane-1,3-diol Openeye Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[5-bromo-2-(4-bromo-N-(4-bromophenyl)anilino)phenyl]propane-1,3-diol CAS Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[5-bromo-2-(4-bromo-N-(4-bromophenyl)anilino)phenyl]propane-1,3-diol IUPAC Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[5-bromo-2-(4-bromo-N-(4-bromophenyl)anilino)phenyl]propane-1,3-diol Traditional Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[5-bromo-2-(4-bromo-N-(4-bromophenyl)anilino)phenyl]propane-1,3-diol Formula: C28H22Br3NO4 MolecularWeight: 676.19058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(CO)C3=C(C=CC(=C3)Br)N(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]([C@H](CO)C3=C(C=CC(=C3)Br)N(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)O

InChI

InChI=1S/C28H22Br3NO4/c29-18-2-7-21(8-3-18)32(22-9-4-19(30)5-10-22)25-11-6-20(31)14-23(25)24(15-33)28(34)17-1-12-26-27(13-17)36-16-35-26/h1-14,24,28,33-34H,15-16H2/t24-,28+/m1/s1