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

Systemtic Name: azane; 5-bromanyl-3-[1-(5-bromanyl-3-carboxy-2-methoxy-phenyl)heptadec-1-enyl]-2-methoxy-benzoic acid Openeye Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-methoxy-phenyl)heptadec-1-enyl]-2-methoxy-benzoic acid CAS Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-methoxyphenyl)heptadec-1-enyl]-2-methoxybenzoic acid IUPAC Name: azane; 5-bromo-3-[1-(5-bromo-3-carboxy-2-methoxyphenyl)heptadec-1-enyl]-2-methoxybenzoic acid Traditional Name: ammonia; 5-bromo-3-[1-(5-bromo-3-carboxy-2-methoxy-phenyl)heptadec-1-enyl]-2-methoxy-benzoic acid Formula: C33H47Br2NO6 MolecularWeight: 713.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C(C1=CC(=CC(=C1OC)C(=O)O)Br)C2=CC(=CC(=C2OC)C(=O)O)Br.N

Isomeric SMILES

CCCCCCCCCCCCCCCC=C(C1=CC(=CC(=C1OC)C(=O)O)Br)C2=CC(=CC(=C2OC)C(=O)O)Br.N

InChI

InChI=1S/C33H44Br2O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(26-19-23(34)21-28(32(36)37)30(26)40-2)27-20-24(35)22-29(33(38)39)31(27)41-3;/h18-22H,4-17H2,1-3H3,(H,36,37)(H,38,39);1H3