3-acetamido-5-oxidanyl-naphthalene-2,7-disulfonic acid; 3-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 3-acetamido-5-oxidanyl-naphthalene-2,7-disulfonic acid; 3-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid; 3-amino-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid; 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid; 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-acetamido-5-hydroxy-naphthalene-2,7-disulfonic acid; 3-amino-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C22H20N2O15S4 MolecularWeight: 680.6586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O.C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O.C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)O)S(=O)(=O)O

InChI

InChI=1S/C12H11NO8S2.C10H9NO7S2/c1-6(14)13-10-5-9-7(3-12(10)23(19,20)21)2-8(4-11(9)15)22(16,17)18;11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);1-4,12H,11H2,(H,13,14,15)(H,16,17,18)