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

Systemtic Name: 4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]butanoic acid Openeye Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]butanoic acid CAS Name: 4-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]butanoic acid IUPAC Name: 4-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]butanoic acid Traditional Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]butyric acid Formula: C29H29BrO3S MolecularWeight: 537.50776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrO3S/c1-17-18(2)34-29-26(17)27(21-10-5-6-11-22(21)28(29)30)20-13-14-24(33-15-7-12-25(31)32)23(16-20)19-8-3-4-9-19/h5-6,10-11,13-14,16,19H,3-4,7-9,12,15H2,1-2H3,(H,31,32)