2-acetyloxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 2-acetyloxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione Openeye Name: 2-acetoxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione CAS Name: 2-acetyloxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione IUPAC Name: 2-acetyloxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione Traditional Name: 2-acetoxybenzoic acid; 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-quinone Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C19H20N2O3.C9H8O4/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h4-8,10-13,17,22H,2-3,9H2,1H3;2-5H,1H3,(H,11,12)