4-bromanyl-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-bromanyl-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-bromo-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-bromo-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-bromo-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-bromo-2,2-diphenyl-7-[(1S)-1,2,2-trimethylcyclopentyl]-piperonylic acid Formula: C28H27BrO4 MolecularWeight: 507.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1(C)C2=C3C(=C(C(=C2)C(=O)O)Br)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

C[C@@]1(CCCC1(C)C)C2=C3C(=C(C(=C2)C(=O)O)Br)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27BrO4/c1-26(2)15-10-16-27(26,3)21-17-20(25(30)31)22(29)24-23(21)32-28(33-24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,30,31)/t27-/m1/s1