Acid Yellow 54 free acid

2-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid

Also Known As: 1thz, Acid Yellow 54 free acid, J2.128.289H, 326203-A, 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, 2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID, 2-(5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-ylazo)-4-sulfobenzoic acid, 2-[5-Hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazole-4-ylazo]-4-sulfobenzoic acid, 2-(2-(4,5-DIHYDRO-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-5-OXO-1H-PYRAZOL-4-YL)DIAZENYL)-4-SULFOBENZOIC ACID, 2-[(2E)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid, 2-[(2Z)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid, 2-[(E)-2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazen-1-yl]-4-sulfobenzoic acid, 2-[(E)-2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)pyrazol-4-yl]diazen-1-yl]-4-sulfobenzoic acid, 2-[2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid, 2-{2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazen-1-yl}-4-sulfobenzoic acid

Molecular Formula	C18H16N4O9S2
Molecular Weight	496.03586 g/mol
LogP	2.39
Topological Polar Surface Area	208.55 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	496.03586
Heavy Atoms	33
Complexity	1583

Chemical Identifiers

CAS Number	68957-71-1
SMILES	CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C(=C(N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O