sodium 4-acetamido-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: sodium 4-acetamido-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: sodium 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: sodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: sodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: sodium 4-acetamido-5-hydroxy-naphthalene-2,7-disulfonate Formula: C12H9NNaO8S2- MolecularWeight: 382.32153

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO8S2.Na/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;+1/p-2