AC1NX4MS

5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid

Also Known As: 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid|(3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfo-phenyl]hydrazinylidene]-4-oxo-naphthalene-2,7-disulfonic acid|(3E)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid|(3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid|3-{2-[5-(2-bromoprop-2-enamido)-2-sulfophenyl]diazen-1-yl}-5-[4-(2-bromoprop-2-enamido)benzamido]-4-hydroxynaphthalene-2,7-disulfonic acid|5-[[4-[(2-Bromo-1-oxo-2-propen-1-yl)amino]benzoyl]amino]-3-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid|5-[[4-[(2-Bromo-1-oxo-2-propenyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid|5-[[4-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid|5-[4-(2-Bromoprop-2-enamido)benzamido]-3-{[5-(2-bromoprop-2-enamido)-2-sulfophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid

Molecular Formula	C29H21Br2N5O13S3
Molecular Weight	900.86646 g/mol
LogP	3.6
Topological Polar Surface Area	321.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	900.86646
Monoisotopic Mass	900.86646
Heavy Atoms	52
Complexity	1770.0

Chemical Identifiers

CAS Number	68252-85-7
SMILES	C=C(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)O)S(=O)(=O)O)Br
InChIKey	YCNUFQQLPRQJHX-UHFFFAOYSA-N