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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)OC(CC5=CC=CC=C5)C(=O)O

InChI

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