5-[4-azanyl-1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-azanyl-1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: 5-[4-amino-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)but-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C18H15Cl2NO6 MolecularWeight: 412.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=CCCN)C2=CC(=C(C(=C2)Cl)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=CCCN)C2=CC(=C(C(=C2)Cl)O)C(=O)O

InChI

InChI=1S/C18H15Cl2NO6/c19-13-6-8(4-11(15(13)22)17(24)25)10(2-1-3-21)9-5-12(18(26)27)16(23)14(20)7-9/h2,4-7,22-23H,1,3,21H2,(H,24,25)(H,26,27)