disodium 7-[[2-(aminocarbonylamino)-4-(2-bromanylprop-2-enoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[[2-(aminocarbonylamino)-4-(2-bromanylprop-2-enoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-(2-bromoprop-2-enoylamino)-2-ureido-phenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-(carbamoylamino)phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-(2-bromoprop-2-enoylamino)-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[(2-bromoacryloyl)amino]-2-ureido-phenyl]azonaphthalene-1,3-disulfonate Formula: C20H14BrN5Na2O8S2 MolecularWeight: 642.3674

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Br.[Na+].[Na+]

Isomeric SMILES

C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Br.[Na+].[Na+]

InChI

InChI=1S/C20H16BrN5O8S2.2Na/c1-10(21)19(27)23-12-4-5-16(17(8-12)24-20(22)28)26-25-13-3-2-11-6-14(35(29,30)31)9-18(15(11)7-13)36(32,33)34;;/h2-9H,1H2,(H,23,27)(H3,22,24,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2