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

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)hept-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hept-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hept-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hept-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hept-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C21H23Cl2NO6 MolecularWeight: 456.31642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2O6.H3N/c1-2-3-4-5-6-13(11-7-14(20(26)27)18(24)16(22)9-11)12-8-15(21(28)29)19(25)17(23)10-12;/h6-10,24-25H,2-5H2,1H3,(H,26,27)(H,28,29);1H3