2-[4-(16-bromanylhexadecylamino)phenyl]carbonyloxybutanedioic acid

Systemtic Name: 2-[4-(16-bromanylhexadecylamino)phenyl]carbonyloxybutanedioic acid Openeye Name: 2-[4-(16-bromohexadecylamino)benzoyl]oxybutanedioic acid CAS Name: 2-[[4-(16-bromohexadecylamino)phenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[4-(16-bromohexadecylamino)benzoyl]oxybutanedioic acid Traditional Name: 2-[4-(16-bromohexadecylamino)benzoyl]oxysuccinic acid Formula: C27H42BrNO6 MolecularWeight: 556.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(CC(=O)O)C(=O)O)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(CC(=O)O)C(=O)O)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C27H42BrNO6/c28-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-29-23-17-15-22(16-18-23)27(34)35-24(26(32)33)21-25(30)31/h15-18,24,29H,1-14,19-21H2,(H,30,31)(H,32,33)