4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4,5-bis(oxidanyl)naphthalene-2,7-disulfonic acid

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4,5-bis(oxidanyl)naphthalene-2,7-disulfonic acid Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4,5-dihydroxynaphthalene-2,7-disulfonic acid CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 4,5-dihydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 4,5-dihydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 4,5-dihydroxynaphthalene-2,7-disulfonic acid Formula: C21H21N3O9S2 MolecularWeight: 523.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C11H13N3O.C10H8O8S2/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h3-7H,12H2,1-2H3;1-4,11-12H,(H,13,14,15)(H,16,17,18)