2-acetyloxy-4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-acetyloxy-4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2,6-dimethylphenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenoxy]sulfonyl-benzoic acid Formula: C31H25BrO7S2 MolecularWeight: 653.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)C

InChI

InChI=1S/C31H25BrO7S2/c1-15-12-20(27-22-8-6-7-9-23(22)28(32)30-26(27)17(3)18(4)40-30)13-16(2)29(15)39-41(36,37)21-10-11-24(31(34)35)25(14-21)38-19(5)33/h6-14H,1-5H3,(H,34,35)