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

Systemtic Name: azane; 3-bromanyl-5-[1-(3-bromanyl-5-carboxy-4-oxidanyl-phenyl)heptadec-1-enyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxy-phenyl)heptadec-1-enyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxyphenyl)heptadec-1-enyl]-2-hydroxybenzoic acid IUPAC Name: azane; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxyphenyl)heptadec-1-enyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 3-bromo-5-[1-(3-bromo-5-carboxy-4-hydroxy-phenyl)heptadec-1-enyl]-2-hydroxy-benzoic acid Formula: C31H43Br2NO6 MolecularWeight: 685.48422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC=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/C31H40Br2O6.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(21-17-24(30(36)37)28(34)26(32)19-21)22-18-25(31(38)39)29(35)27(33)20-22;/h16-20,34-35H,2-15H2,1H3,(H,36,37)(H,38,39);1H3