trisodium (3Z)-5-[[4-(2-bromanylprop-2-enoylamino)phenyl]carbonylamino]-3-[[5-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-[[4-(2-bromanylprop-2-enoylamino)phenyl]carbonylamino]-3-[[5-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-[[[4-[(2-bromo-1-oxoprop-2-enyl)amino]phenyl]-oxomethyl]amino]-3-[[5-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-[[4-[(2-bromoacryloyl)amino]benzoyl]amino]-3-[[5-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C29H18Br2N5Na3O13S3 MolecularWeight: 969.45123

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-])Br.[Na+].[Na+].[Na+]

Isomeric SMILES

C=C(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-])Br.[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46;;;/h3-12,35H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b36-25+;;;