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2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid

2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid

Systemtic Name:2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid
Openeye Name:2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]propanoic acid
CAS Name:2-[2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenoxy]propanoic acid
IUPAC Name:2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid
Traditional Name:2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]propionic acid
Formula: C28H28O3S
MolecularWeight: 444.58512
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(C)C(=O)O)C5CCCC5)C


Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(C)C(=O)O)C5CCCC5)C


InChI

InChI=1S/C28H28O3S/c1-16-18(3)32-25-15-20-10-6-7-11-22(20)27(26(16)25)21-12-13-24(31-17(2)28(29)30)23(14-21)19-8-4-5-9-19/h6-7,10-15,17,19H,4-5,8-9H2,1-3H3,(H,29,30)


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