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

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)hentriacont-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hentriacont-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hentriacont-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hentriacont-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hentriacont-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C45H71Cl2NO6 MolecularWeight: 792.95434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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/C45H68Cl2O6.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37(35-31-38(44(50)51)42(48)40(46)33-35)36-32-39(45(52)53)43(49)41(47)34-36;/h30-34,48-49H,2-29H2,1H3,(H,50,51)(H,52,53);1H3