1-[4,5-bis(bromanyl)-12-(2-carboxyphenyl)dodecyl]cyclopentane-1-carboxylate

Systemtic Name: 1-[4,5-bis(bromanyl)-12-(2-carboxyphenyl)dodecyl]cyclopentane-1-carboxylate Openeye Name: 1-[4,5-dibromo-12-(2-carboxyphenyl)dodecyl]cyclopentanecarboxylate CAS Name: 1-[4,5-dibromo-12-(2-carboxyphenyl)dodecyl]-1-cyclopentanecarboxylate IUPAC Name: 1-[4,5-dibromo-12-(2-carboxyphenyl)dodecyl]cyclopentane-1-carboxylate Traditional Name: 1-[4,5-dibromo-12-(2-carboxyphenyl)dodecyl]cyclopentanecarboxylate Formula: C25H35Br2O4- MolecularWeight: 559.351

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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)/p-1