disodium 3-[(2-acetamido-4-azanyl-5-methoxy-phenyl)diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-[(2-acetamido-4-azanyl-5-methoxy-phenyl)diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-(2-acetamido-4-amino-5-methoxy-phenyl)azonaphthalene-1,5-disulfonate CAS Name: disodium 3-(2-acetamido-4-amino-5-methoxyphenyl)azonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-[(2-acetamido-4-amino-5-methoxyphenyl)diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-(2-acetamido-4-amino-5-methoxy-phenyl)azonaphthalene-1,5-disulfonate Formula: C19H16N4Na2O8S2 MolecularWeight: 538.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[Na+]

InChI

InChI=1S/C19H18N4O8S2.2Na/c1-10(24)21-15-8-14(20)17(31-2)9-16(15)23-22-11-6-13-12(19(7-11)33(28,29)30)4-3-5-18(13)32(25,26)27;;/h3-9H,20H2,1-2H3,(H,21,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2