2-[2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-ethylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-ethylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-ethyl-phenoxy]-3-phenyl-propionic acid Formula: C31H26Br2O3S MolecularWeight: 638.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)Br)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)Br)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H26Br2O3S/c1-4-20-15-21(16-24(32)29(20)36-25(31(34)35)14-19-10-6-5-7-11-19)27-22-12-8-9-13-23(22)28(33)30-26(27)17(2)18(3)37-30/h5-13,15-16,25H,4,14H2,1-3H3,(H,34,35)