5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfo-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfo-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfo-phenyl]hydrazino]-6-methylimino-4-oxo-naphthalene-2-sulfonic acid CAS Name: 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfophenyl]hydrazo]-6-methylimino-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfophenyl]hydrazinyl]-6-methylimino-4-oxonaphthalene-2-sulfonic acid Traditional Name: 5-[N'-[4-[(2-bromoacryloyl)amino]-2-sulfo-phenyl]hydrazino]-4-keto-6-methylimino-naphthalene-2-sulfonic acid Formula: C20H17BrN4O8S2 MolecularWeight: 585.40498

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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

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

InChI

InChI=1S/C20H17BrN4O8S2/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)