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

Systemtic Name: 4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C32H27BrO6S2 MolecularWeight: 651.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC(=C(C=C5)C(=O)O)O)C6CCCC6)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC(=C(C=C5)C(=O)O)O)C6CCCC6)Br)C

InChI

InChI=1S/C32H27BrO6S2/c1-17-18(2)40-31-28(17)29(22-9-5-6-10-23(22)30(31)33)20-11-14-27(25(15-20)19-7-3-4-8-19)39-41(37,38)21-12-13-24(32(35)36)26(34)16-21/h5-6,9-16,19,34H,3-4,7-8H2,1-2H3,(H,35,36)