AC1O3TUC

3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-5-(propanoylamino)naphthalene-2,7-disulfonic acid

Also Known As: (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid|(3Z)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid|3-[2-[5-[[4-Chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-5-[(1-oxopropyl)amino]-2,7-naphthalenedisulfonic acid

Molecular Formula	C30H27ClN8O17S5
Molecular Weight	965.97864 g/mol
LogP	2.0
Topological Polar Surface Area	440.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	24
Rotatable Bonds	16
Exact Mass	965.97864
Monoisotopic Mass	965.97864
Heavy Atoms	61
Complexity	2130.0

Chemical Identifiers

CAS Number	104256-91-9
SMILES	CCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)CCOS(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O
InChIKey	IIGVDMHTKBXOOI-UHFFFAOYSA-N