2,5-bis(oxidanyl)benzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 2,5-bis(oxidanyl)benzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 2,5-dihydroxybenzoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 2,5-dihydroxybenzoic acid; 1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 2,5-dihydroxybenzoic acid; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: antipyrine; gentisic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O.C7H6O4/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;8-4-1-2-6(9)5(3-4)7(10)11/h3-8H,1-2H3;1-3,8-9H,(H,10,11)