4-acetamido-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-acetamido-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-acetamido-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-acetamido-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

InChI

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