3-azanyl-5-ethanoyl-4-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 3-azanyl-5-ethanoyl-4-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-acetyl-3-amino-4-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 5-acetyl-3-amino-4-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 5-acetyl-3-amino-4-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 5-acetyl-3-amino-4-hydroxy-naphthalene-1,7-disulfonic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=CC(=C1)S(=O)(=O)O)C(=CC(=C2O)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=C2C(=CC(=C1)S(=O)(=O)O)C(=CC(=C2O)N)S(=O)(=O)O

InChI

InChI=1S/C12H11NO8S2/c1-5(14)7-2-6(22(16,17)18)3-8-10(23(19,20)21)4-9(13)12(15)11(7)8/h2-4,15H,13H2,1H3,(H,16,17,18)(H,19,20,21)