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

Systemtic Name: 4-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-propan-2-yl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-propan-2-ylphenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-propan-2-ylphenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C30H25BrO6S2 MolecularWeight: 625.5499

Click to see the large picture

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)C(C)C)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)C(C)C)Br)C

InChI

InChI=1S/C30H25BrO6S2/c1-15(2)23-13-18(9-12-25(23)37-39(35,36)19-10-11-22(30(33)34)24(32)14-19)27-20-7-5-6-8-21(20)28(31)29-26(27)16(3)17(4)38-29/h5-15,32H,1-4H3,(H,33,34)