2-[2-[bromanyl-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[2-[bromanyl-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[2-[bromo-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropanecarboxylic acid CAS Name: 2-[2-[bromo-(3-phenoxyphenyl)methyl]-3,3-dimethyl-1-indenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[2-[bromo-(3-phenoxyphenyl)methyl]-3,3-dimethylinden-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[2-[bromo-(3-phenoxyphenyl)methyl]-3,3-dimethyl-inden-1-yl]cyclopropanecarboxylic acid Formula: C28H25BrO3 MolecularWeight: 489.4003

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=C1C(C3=CC(=CC=C3)OC4=CC=CC=C4)Br)C5CC5C(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=C1C(C3=CC(=CC=C3)OC4=CC=CC=C4)Br)C5CC5C(=O)O)C

InChI

InChI=1S/C28H25BrO3/c1-28(2)23-14-7-6-13-20(23)24(21-16-22(21)27(30)31)25(28)26(29)17-9-8-12-19(15-17)32-18-10-4-3-5-11-18/h3-15,21-22,26H,16H2,1-2H3,(H,30,31)