2-[[3,5-bis(bromanyl)pyridin-2-yl]diazenyl]-5-(1-sulfopropylamino)benzoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)pyridin-2-yl]diazenyl]-5-(1-sulfopropylamino)benzoic acid Openeye Name: 2-[(3,5-dibromo-2-pyridyl)azo]-5-(1-sulfopropylamino)benzoic acid CAS Name: 2-[(3,5-dibromo-2-pyridinyl)azo]-5-(1-sulfopropylamino)benzoic acid IUPAC Name: 2-[(3,5-dibromopyridin-2-yl)diazenyl]-5-(1-sulfopropylamino)benzoic acid Traditional Name: 2-[(3,5-dibromo-2-pyridyl)azo]-5-(1-sulfopropylamino)benzoic acid Formula: C15H14Br2N4O5S MolecularWeight: 522.16846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC(=C(C=C1)N=NC2=C(C=C(C=N2)Br)Br)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC(=C(C=C1)N=NC2=C(C=C(C=N2)Br)Br)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14Br2N4O5S/c1-2-13(27(24,25)26)19-9-3-4-12(10(6-9)15(22)23)20-21-14-11(17)5-8(16)7-18-14/h3-7,13,19H,2H2,1H3,(H,22,23)(H,24,25,26)