4-[[6-methyl-2,4-bis(oxidanylidene)heptan-3-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[6-methyl-2,4-bis(oxidanylidene)heptan-3-yl]diazenyl]benzoic acid Openeye Name: 4-(1-acetyl-4-methyl-2-oxo-pentyl)azobenzoic acid CAS Name: 4-(6-methyl-2,4-dioxoheptan-3-yl)azobenzoic acid IUPAC Name: 4-[(6-methyl-2,4-dioxoheptan-3-yl)diazenyl]benzoic acid Traditional Name: 4-(1-acetyl-2-keto-4-methyl-pentyl)azobenzoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-9(2)8-13(19)14(10(3)18)17-16-12-6-4-11(5-7-12)15(20)21/h4-7,9,14H,8H2,1-3H3,(H,20,21)