5-azanyl-4-oxidanyl-benzene-1,3-disulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-oxidanyl-benzene-1,3-disulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-amino-4-hydroxy-benzene-1,3-disulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-amino-4-hydroxybenzene-1,3-disulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-amino-4-hydroxybenzene-1,3-disulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-amino-4-hydroxy-benzene-1,3-disulfonic acid; 5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C16H17N3O8S2 MolecularWeight: 443.45148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=CC=C2.C1=C(C=C(C(=C1S(=O)(=O)O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=CC=C2.C1=C(C=C(C(=C1S(=O)(=O)O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O.C6H7NO7S2/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9;7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h2-7,11H,1H3;1-2,8H,7H2,(H,9,10,11)(H,12,13,14)