disodium 4-acetamido-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: disodium 4-acetamido-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: disodium 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: disodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: disodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: disodium 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C12H11NNa2O8S2+2 MolecularWeight: 407.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C12H11NO8S2.2Na/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1