4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-bis(chloranyl)-6-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-bis(chloranyl)-6-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-dichloro-6-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 1,3-dichloro-6-hydroxy-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 1,3-dichloro-6-hydroxycyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 1,3-dichloro-6-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid Formula: C17H19Cl2N3O5S MolecularWeight: 448.32086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=CC(=CC(C1O)(S(=O)(=O)O)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=CC(=CC(C1O)(S(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C11H13N3O.C6H6Cl2O4S/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;7-4-1-2-5(9)6(8,3-4)13(10,11)12/h3-7H,12H2,1-2H3;1-3,5,9H,(H,10,11,12)