azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)undecyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)undecyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)undecyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)undecyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)undecyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)undecyl]-3-chloro-2-hydroxy-benzoic acid Formula: C25H33Cl2NO6 MolecularWeight: 514.43862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1=CC(=C(C(=C1)C(=O)O)O)Cl)C2=CC(=C(C(=C2)C(=O)O)O)Cl.N

Isomeric SMILES

CCCCCCCCCCC(C1=CC(=C(C(=C1)C(=O)O)O)Cl)C2=CC(=C(C(=C2)C(=O)O)O)Cl.N

InChI

InChI=1S/C25H30Cl2O6.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;/h11-14,17,28-29H,2-10H2,1H3,(H,30,31)(H,32,33);1H3