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disodium 3-acetamido-8-oxidanyl-naphthalene-1,5-disulfonate

disodium 3-acetamido-8-oxidanyl-naphthalene-1,5-disulfonate

Systemtic Name:disodium 3-acetamido-8-oxidanyl-naphthalene-1,5-disulfonate
Openeye Name:disodium 3-acetamido-8-hydroxy-naphthalene-1,5-disulfonate
CAS Name:disodium 3-acetamido-8-hydroxynaphthalene-1,5-disulfonate
IUPAC Name:disodium 3-acetamido-8-hydroxynaphthalene-1,5-disulfonate
Traditional Name:disodium 3-acetamido-8-hydroxy-naphthalene-1,5-disulfonate
Formula: C12H9NNa2O8S2
MolecularWeight: 405.3113
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]


Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]


InChI

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


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