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

Systemtic Name: 2-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]sulfonylbenzoic acid Openeye Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonylbenzoic acid CAS Name: 2-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]sulfonylbenzoic acid IUPAC Name: 2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]sulfonylbenzoic acid Traditional Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonylbenzoic acid Formula: C32H27BrO5S2 MolecularWeight: 635.58778

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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=CC=C5C(=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=CC=C5C(=O)O)C6CCCC6)Br)C

InChI

InChI=1S/C32H27BrO5S2/c1-18-19(2)39-31-28(18)29(22-11-5-6-12-23(22)30(31)33)21-15-16-26(25(17-21)20-9-3-4-10-20)38-40(36,37)27-14-8-7-13-24(27)32(34)35/h5-8,11-17,20H,3-4,9-10H2,1-2H3,(H,34,35)