3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]pyrrole-2,5-dione

Systemtic Name: 3-[3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]pyrrole-2,5-dione Openeye Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hydroxy-propyl]pyrrole-2,5-dione CAS Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxypropyl]pyrrole-2,5-dione IUPAC Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxypropyl]pyrrole-2,5-dione Traditional Name: 3-[3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-hydroxy-propyl]-3-pyrroline-2,5-quinone Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(CC2=CC(=O)NC2=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(CC2=CC(=O)NC2=O)O)C(C)(C)C)O

InChI

InChI=1S/C18H23NO4/c1-10-5-11(7-14(16(10)22)18(2,3)4)6-13(20)8-12-9-15(21)19-17(12)23/h5,7,9,13,20,22H,6,8H2,1-4H3,(H,19,21,23)