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

Systemtic Name: 4-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C32H28O6S2 MolecularWeight: 572.69112

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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(=C(C=C5)C(=O)O)O)C6CCCC6)C

Isomeric SMILES

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

InChI

InChI=1S/C32H28O6S2/c1-18-19(2)39-29-16-21-9-5-6-10-24(21)31(30(18)29)22-11-14-28(26(15-22)20-7-3-4-8-20)38-40(36,37)23-12-13-25(32(34)35)27(33)17-23/h5-6,9-17,20,33H,3-4,7-8H2,1-2H3,(H,34,35)