azane; 3-bromanyl-5-[1-(3-bromanyl-5-carboxy-4-oxidanyl-phenyl)undec-1-enyl]-2-oxidanyl-benzoic acid

Systemtic Name: azane; 3-bromanyl-5-[1-(3-bromanyl-5-carboxy-4-oxidanyl-phenyl)undec-1-enyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxy-phenyl)undec-1-enyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxyphenyl)undec-1-enyl]-2-hydroxybenzoic acid IUPAC Name: azane; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxyphenyl)undec-1-enyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxy-phenyl)undec-1-enyl]-2-hydroxy-benzoic acid Formula: C25H31Br2NO6 MolecularWeight: 601.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=C(C1=CC(=C(C(=C1)Br)O)C(=O)O)C2=CC(=C(C(=C2)Br)O)C(=O)O.N

Isomeric SMILES

CCCCCCCCCC=C(C1=CC(=C(C(=C1)Br)O)C(=O)O)C2=CC(=C(C(=C2)Br)O)C(=O)O.N

InChI

InChI=1S/C25H28Br2O6.H3N/c1-2-3-4-5-6-7-8-9-10-17(15-11-18(24(30)31)22(28)20(26)13-15)16-12-19(25(32)33)23(29)21(27)14-16;/h10-14,28-29H,2-9H2,1H3,(H,30,31)(H,32,33);1H3