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

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-methoxy-phenyl)heptadec-1-enyl]-3-chloranyl-2-methoxy-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)heptadec-1-enyl]-3-chloro-2-methoxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)heptadec-1-enyl]-3-chloro-2-methoxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)heptadec-1-enyl]-3-chloro-2-methoxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-methoxy-phenyl)heptadec-1-enyl]-3-chloro-2-methoxy-benzoic acid Formula: C33H47Cl2NO6 MolecularWeight: 624.63538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)O.N

Isomeric SMILES

CCCCCCCCCCCCCCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)O)C2=CC(=C(C(=C2)Cl)OC)C(=O)O.N

InChI

InChI=1S/C33H44Cl2O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(23-19-26(32(36)37)30(40-2)28(34)21-23)24-20-27(33(38)39)31(41-3)29(35)22-24;/h18-22H,4-17H2,1-3H3,(H,36,37)(H,38,39);1H3