disodium 3-azanyl-7-nitro-naphthalene-1,5-disulfonate

Systemtic Name: disodium 3-azanyl-7-nitro-naphthalene-1,5-disulfonate Openeye Name: disodium 3-amino-7-nitro-naphthalene-1,5-disulfonate CAS Name: disodium 3-amino-7-nitronaphthalene-1,5-disulfonate IUPAC Name: disodium 3-amino-7-nitronaphthalene-1,5-disulfonate Traditional Name: disodium 3-amino-7-nitro-naphthalene-1,5-disulfonate Formula: C10H6N2Na2O8S2 MolecularWeight: 392.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C10H8N2O8S2.2Na/c11-5-1-7-8(9(2-5)21(15,16)17)3-6(12(13)14)4-10(7)22(18,19)20;;/h1-4H,11H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2