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

Systemtic Name: 2-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-propan-2-yl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-propan-2-ylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-propan-2-ylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]-3-phenyl-propionic acid Formula: C32H29BrO3S MolecularWeight: 573.53986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H29BrO3S/c1-18(2)25-17-22(14-15-26(25)36-27(32(34)35)16-21-10-6-5-7-11-21)29-23-12-8-9-13-24(23)30(33)31-28(29)19(3)20(4)37-31/h5-15,17-18,27H,16H2,1-4H3,(H,34,35)