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

Systemtic Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]sulfonylbenzoic acid Openeye Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]sulfonylbenzoic acid CAS Name: 3-[2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]sulfonylbenzoic acid Formula: C32H28O5S2 MolecularWeight: 556.69172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)O)C6CCCC6)C

Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC=CC(=C5)C(=O)O)C6CCCC6)C

InChI

InChI=1S/C32H28O5S2/c1-19-20(2)38-29-18-22-10-5-6-13-26(22)31(30(19)29)23-14-15-28(27(17-23)21-8-3-4-9-21)37-39(35,36)25-12-7-11-24(16-25)32(33)34/h5-7,10-18,21H,3-4,8-9H2,1-2H3,(H,33,34)