4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 3-methoxy-2,6-dimethyl-4,5-bis(oxidanyl)benzoic acid

Systemtic Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 3-methoxy-2,6-dimethyl-4,5-bis(oxidanyl)benzoic acid Openeye Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 3,4-dihydroxy-5-methoxy-2,6-dimethyl-benzoic acid CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 3,4-dihydroxy-5-methoxy-2,6-dimethylbenzoic acid IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 3,4-dihydroxy-5-methoxy-2,6-dimethylbenzoic acid Traditional Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone; 3,4-dihydroxy-5-methoxy-2,6-dimethyl-benzoic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(C(=C(C(=C1O)O)OC)C)C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(C(=C(C(=C1O)O)OC)C)C(=O)O

InChI

InChI=1S/C19H20N2O2.C10H12O5/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-4-6(10(13)14)5(2)9(15-3)8(12)7(4)11/h4-13,17H,2-3,14H2,1H3;11-12H,1-3H3,(H,13,14)