disodium 5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium 5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazino]-6-methylimino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazo]-6-methylimino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinyl]-6-methylimino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-[4-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]hydrazino]-4-keto-6-methylimino-naphthalene-2-sulfonate Formula: C20H15BrN4Na2O8S2 MolecularWeight: 629.36864

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H17BrN4O8S2.2Na/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19;;/h3-9,24-25H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2