4-azanylbenzoic acid; 4-[[2,5-bis(2-acetyloxyethoxy)-4-azanyl-phenyl]diazenyl]benzoic acid

Systemtic Name: 4-azanylbenzoic acid; 4-[[2,5-bis(2-acetyloxyethoxy)-4-azanyl-phenyl]diazenyl]benzoic acid Openeye Name: 4-aminobenzoic acid; 4-[2,5-bis(2-acetoxyethoxy)-4-amino-phenyl]azobenzoic acid CAS Name: 4-aminobenzoic acid; 4-[2,5-bis(2-acetyloxyethoxy)-4-aminophenyl]azobenzoic acid IUPAC Name: 4-aminobenzoic acid; 4-[[2,5-bis(2-acetyloxyethoxy)-4-aminophenyl]diazenyl]benzoic acid Traditional Name: 4-aminobenzoic acid; 4-[2,5-bis(2-acetoxyethoxy)-4-amino-phenyl]azobenzoic acid Formula: C28H30N4O10 MolecularWeight: 582.5586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CC(=C(C=C1N=NC2=CC=C(C=C2)C(=O)O)OCCOC(=O)C)N.C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

CC(=O)OCCOC1=CC(=C(C=C1N=NC2=CC=C(C=C2)C(=O)O)OCCOC(=O)C)N.C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C21H23N3O8.C7H7NO2/c1-13(25)29-7-9-31-19-12-18(20(11-17(19)22)32-10-8-30-14(2)26)24-23-16-5-3-15(4-6-16)21(27)28;8-6-3-1-5(2-4-6)7(9)10/h3-6,11-12H,7-10,22H2,1-2H3,(H,27,28);1-4H,8H2,(H,9,10)