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

Systemtic Name: 2-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]propanoic acid Openeye Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]propanoic acid CAS Name: 2-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]propanoic acid IUPAC Name: 2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]propanoic acid Traditional Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]propionic acid Formula: C28H27BrO3S MolecularWeight: 523.48118

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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(C)C(=O)O)C5CCCC5)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(C)C(=O)O)C5CCCC5)Br)C

InChI

InChI=1S/C28H27BrO3S/c1-15-17(3)33-27-24(15)25(20-10-6-7-11-21(20)26(27)29)19-12-13-23(32-16(2)28(30)31)22(14-19)18-8-4-5-9-18/h6-7,10-14,16,18H,4-5,8-9H2,1-3H3,(H,30,31)