azanium 3-chloranyl-2-oxidanyl-5-[1,2,2-tris(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)ethenyl]benzoate

Systemtic Name: azanium 3-chloranyl-2-oxidanyl-5-[1,2,2-tris(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)ethenyl]benzoate Openeye Name: ammonium 3-chloro-2-hydroxy-5-[1,2,2-tris(3-carboxy-5-chloro-4-hydroxy-phenyl)vinyl]benzoate CAS Name: ammonium 3-chloro-2-hydroxy-5-[1,2,2-tris(3-carboxy-5-chloro-4-hydroxyphenyl)ethenyl]benzoate IUPAC Name: azanium 3-chloro-2-hydroxy-5-[1,2,2-tris(3-carboxy-5-chloro-4-hydroxyphenyl)ethenyl]benzoate Traditional Name: ammonium 3-chloro-2-hydroxy-5-[1,2,2-tris(3-carboxy-5-chloro-4-hydroxy-phenyl)vinyl]benzoate Formula: C30H19Cl4NO12 MolecularWeight: 727.28336

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=C(C2=CC(=C(C(=C2)Cl)O)C(=O)O)C3=CC(=C(C(=C3)Cl)O)C(=O)[O-])C4=CC(=C(C(=C4)Cl)O)C(=O)O.[NH4+]

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=C(C2=CC(=C(C(=C2)Cl)O)C(=O)O)C3=CC(=C(C(=C3)Cl)O)C(=O)[O-])C4=CC(=C(C(=C4)Cl)O)C(=O)O.[NH4+]

InChI

InChI=1S/C30H16Cl4O12.H3N/c31-17-5-9(1-13(23(17)35)27(39)40)21(10-2-14(28(41)42)24(36)18(32)6-10)22(11-3-15(29(43)44)25(37)19(33)7-11)12-4-16(30(45)46)26(38)20(34)8-12;/h1-8,35-38H,(H,39,40)(H,41,42)(H,43,44)(H,45,46);1H3