5-bromanyl-1,1-bis(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-4-carboxylic acid

Systemtic Name: 5-bromanyl-1,1-bis(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-4-carboxylic acid Openeye Name: 5-bromo-1,1-bis(4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-oxo-isobenzofuran-4-carboxylic acid CAS Name: 5-bromo-1,1-bis(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-3-oxo-4-isobenzofurancarboxylic acid IUPAC Name: 5-bromo-1,1-bis(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-3-oxo-2-benzofuran-4-carboxylic acid Traditional Name: 5-bromo-1,1-bis(4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-keto-phthalan-4-carboxylic acid Formula: C29H29BrO6 MolecularWeight: 553.44096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2(C3=C(C(=C(C=C3)Br)C(=O)O)C(=O)O2)C4=CC(=C(C=C4C(C)C)O)C)C(C)C)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C2(C3=C(C(=C(C=C3)Br)C(=O)O)C(=O)O2)C4=CC(=C(C=C4C(C)C)O)C)C(C)C)O

InChI

InChI=1S/C29H29BrO6/c1-13(2)17-11-23(31)15(5)9-20(17)29(21-10-16(6)24(32)12-18(21)14(3)4)19-7-8-22(30)26(27(33)34)25(19)28(35)36-29/h7-14,31-32H,1-6H3,(H,33,34)