2-(3-hydroxyphenyl)-2-[[2-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]diazenyl]butanoic acid

Systemtic Name: 2-(3-hydroxyphenyl)-2-[[2-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]diazenyl]butanoic acid Openeye Name: 2-[1-carboxy-1-(3-hydroxyphenyl)propyl]azo-2-(3-hydroxyphenyl)butanoic acid CAS Name: 2-[1-hydroxy-2-(3-hydroxyphenyl)-1-oxobutan-2-yl]azo-2-(3-hydroxyphenyl)butanoic acid IUPAC Name: 2-[[1-hydroxy-2-(3-hydroxyphenyl)-1-oxobutan-2-yl]diazenyl]-2-(3-hydroxyphenyl)butanoic acid Traditional Name: 2-[1-carboxy-1-(3-hydroxyphenyl)propyl]azo-2-(3-hydroxyphenyl)butyric acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)O)(C(=O)O)N=NC(CC)(C2=CC(=CC=C2)O)C(=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)O)(C(=O)O)N=NC(CC)(C2=CC(=CC=C2)O)C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-3-19(17(25)26,13-7-5-9-15(23)11-13)21-22-20(4-2,18(27)28)14-8-6-10-16(24)12-14/h5-12,23-24H,3-4H2,1-2H3,(H,25,26)(H,27,28)