disodium 6-azanyl-5-[[5-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 6-azanyl-5-[[5-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 6-amino-5-[5-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]azo-naphthalene-2-sulfonate CAS Name: disodium 6-amino-5-[5-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]azo-2-naphthalenesulfonate IUPAC Name: disodium 6-amino-5-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 6-amino-5-[5-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]azo-naphthalene-2-sulfonate Formula: C19H13BrN4Na2O7S2 MolecularWeight: 599.34266

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N)Br.[Na+].[Na+]

Isomeric SMILES

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])N)Br.[Na+].[Na+]

InChI

InChI=1S/C19H15BrN4O7S2.2Na/c1-10(20)19(25)22-12-3-7-17(33(29,30)31)16(9-12)23-24-18-14-5-4-13(32(26,27)28)8-11(14)2-6-15(18)21;;/h2-9H,1,21H2,(H,22,25)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2