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

Systemtic Name: disodium 3-[(2-acetamido-4-azanyl-phenyl)diazenyl]naphthalene-1,5-disulfonate Openeye Name: disodium 3-(2-acetamido-4-amino-phenyl)azonaphthalene-1,5-disulfonate CAS Name: disodium 3-(2-acetamido-4-aminophenyl)azonaphthalene-1,5-disulfonate IUPAC Name: disodium 3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonate Traditional Name: disodium 3-(2-acetamido-4-amino-phenyl)azonaphthalene-1,5-disulfonate Formula: C18H14N4Na2O7S2 MolecularWeight: 508.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N4O7S2.2Na/c1-10(23)20-16-7-11(19)5-6-15(16)22-21-12-8-14-13(18(9-12)31(27,28)29)3-2-4-17(14)30(24,25)26;;/h2-9H,19H2,1H3,(H,20,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2