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

Systemtic Name: disodium 6-azanylidene-5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-[4-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C19H13BrN4Na2O8S2 MolecularWeight: 615.34206

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-])Br.[Na+].[Na+]

Isomeric SMILES

C=C(C(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-])Br.[Na+].[Na+]

InChI

InChI=1S/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,21,23-24H,1H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2