4-acetamido-5-oxidanyl-3,4-dihydronaphthalene-2,7-disulfonic acid

Systemtic Name: 4-acetamido-5-oxidanyl-3,4-dihydronaphthalene-2,7-disulfonic acid Openeye Name: 4-acetamido-5-hydroxy-3,4-dihydronaphthalene-2,7-disulfonic acid CAS Name: 4-acetamido-5-hydroxy-3,4-dihydronaphthalene-2,7-disulfonic acid IUPAC Name: 4-acetamido-5-hydroxy-3,4-dihydronaphthalene-2,7-disulfonic acid Traditional Name: 4-acetamido-5-hydroxy-3,4-dihydronaphthalene-2,7-disulfonic acid Formula: C12H13NO8S2 MolecularWeight: 363.36352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(=CC2=CC(=CC(=C12)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1CC(=CC2=CC(=CC(=C12)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H13NO8S2/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/h2-3,5,10,15H,4H2,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)