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

Systemtic Name: 2-acetyloxy-4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid Formula: C34H29BrO7S2 MolecularWeight: 693.62386

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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)OC(=O)C)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)OC(=O)C)C6CCCC6)Br)C

InChI

InChI=1S/C34H29BrO7S2/c1-18-19(2)43-33-30(18)31(24-10-6-7-11-25(24)32(33)35)22-12-15-28(27(16-22)21-8-4-5-9-21)42-44(39,40)23-13-14-26(34(37)38)29(17-23)41-20(3)36/h6-7,10-17,21H,4-5,8-9H2,1-3H3,(H,37,38)