2-[2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-propan-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-propan-2-yl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-isopropyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-propan-2-ylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-propan-2-ylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-isopropyl-phenoxy]-3-phenyl-propionic acid Formula: C32H28Br2O3S MolecularWeight: 652.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C(=C4)Br)OC(CC5=CC=CC=C5)C(=O)O)C(C)C)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C(=C4)Br)OC(CC5=CC=CC=C5)C(=O)O)C(C)C)Br)C

InChI

InChI=1S/C32H28Br2O3S/c1-17(2)24-15-21(16-25(33)30(24)37-26(32(35)36)14-20-10-6-5-7-11-20)28-22-12-8-9-13-23(22)29(34)31-27(28)18(3)19(4)38-31/h5-13,15-17,26H,14H2,1-4H3,(H,35,36)