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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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