2-[8,9-bis(bromanyl)-12-(1-carboxycyclopentyl)dodecyl]benzoic acid

Systemtic Name: 2-[8,9-bis(bromanyl)-12-(1-carboxycyclopentyl)dodecyl]benzoic acid Openeye Name: 2-[8,9-dibromo-12-(1-carboxycyclopentyl)dodecyl]benzoic acid CAS Name: 2-[8,9-dibromo-12-(1-carboxycyclopentyl)dodecyl]benzoic acid IUPAC Name: 2-[8,9-dibromo-12-(1-carboxycyclopentyl)dodecyl]benzoic acid Traditional Name: 2-[8,9-dibromo-12-(1-carboxycyclopentyl)dodecyl]benzoic acid Formula: C25H36Br2O4 MolecularWeight: 560.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CCCC(C(CCCCCCCC2=CC=CC=C2C(=O)O)Br)Br)C(=O)O

Isomeric SMILES

C1CCC(C1)(CCCC(C(CCCCCCCC2=CC=CC=C2C(=O)O)Br)Br)C(=O)O

InChI

InChI=1S/C25H36Br2O4/c26-21(22(27)15-10-18-25(24(30)31)16-8-9-17-25)14-5-3-1-2-4-11-19-12-6-7-13-20(19)23(28)29/h6-7,12-13,21-22H,1-5,8-11,14-18H2,(H,28,29)(H,30,31)