disodium 2-[(4-methylphenyl)diazenyl]-5-morpholin-4-yl-benzene-1,4-disulfonate

Systemtic Name: disodium 2-[(4-methylphenyl)diazenyl]-5-morpholin-4-yl-benzene-1,4-disulfonate Openeye Name: disodium 2-morpholino-5-(p-tolylazo)benzene-1,4-disulfonate CAS Name: disodium 2-(4-methylphenyl)azo-5-(4-morpholinyl)benzene-1,4-disulfonate IUPAC Name: disodium 2-[(4-methylphenyl)diazenyl]-5-morpholin-4-ylbenzene-1,4-disulfonate Traditional Name: disodium 2-morpholino-5-(p-tolylazo)benzene-1,4-disulfonate Formula: C17H17N3Na2O7S2 MolecularWeight: 485.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2S(=O)(=O)[O-])N3CCOCC3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2S(=O)(=O)[O-])N3CCOCC3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H19N3O7S2.2Na/c1-12-2-4-13(5-3-12)18-19-14-10-17(29(24,25)26)15(11-16(14)28(21,22)23)20-6-8-27-9-7-20;;/h2-5,10-11H,6-9H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2