3-azanyl-4-ethanoyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 3-azanyl-4-ethanoyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-acetyl-3-amino-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-acetyl-3-amino-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-acetyl-3-amino-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-acetyl-3-amino-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C12H11NO8S2 MolecularWeight: 361.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC2=CC(=CC(=C21)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC(=O)C1=C(C(=CC2=CC(=CC(=C21)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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