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

Systemtic Name: 2-[2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-cyclopentyl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-cyclopentyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-cyclopentylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-cyclopentylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-cyclopentyl-phenoxy]-3-phenyl-propionic acid Formula: C34H30Br2O3S MolecularWeight: 678.4732

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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)C6CCCC6)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)C6CCCC6)Br)C

InChI

InChI=1S/C34H30Br2O3S/c1-19-20(2)40-33-29(19)30(24-14-8-9-15-25(24)31(33)36)23-17-26(22-12-6-7-13-22)32(27(35)18-23)39-28(34(37)38)16-21-10-4-3-5-11-21/h3-5,8-11,14-15,17-18,22,28H,6-7,12-13,16H2,1-2H3,(H,37,38)