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

Systemtic Name: 2-[2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-butan-2-yl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-sec-butyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-butan-2-ylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-butan-2-ylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-sec-butyl-phenoxy]-3-phenyl-propionic acid Formula: C33H30Br2O3S MolecularWeight: 666.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=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

CCC(C)C1=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/C33H30Br2O3S/c1-5-18(2)25-16-22(17-26(34)31(25)38-27(33(36)37)15-21-11-7-6-8-12-21)29-23-13-9-10-14-24(23)30(35)32-28(29)19(3)20(4)39-32/h6-14,16-18,27H,5,15H2,1-4H3,(H,36,37)