1-[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione

Systemtic Name: 1-[3,5-bis(2-methylhexan-2-yl)-4-oxidanyl-phenyl]pyrrole-2,5-dione Openeye Name: 1-[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]pyrrole-2,5-dione CAS Name: 1-[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]pyrrole-2,5-dione IUPAC Name: 1-[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]pyrrole-2,5-dione Traditional Name: 1-[3,5-bis(1,1-dimethylpentyl)-4-hydroxy-phenyl]-3-pyrroline-2,5-quinone Formula: C24H35NO3 MolecularWeight: 385.5396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCC)N2C(=O)C=CC2=O

Isomeric SMILES

CCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCC)N2C(=O)C=CC2=O

InChI

InChI=1S/C24H35NO3/c1-7-9-13-23(3,4)18-15-17(25-20(26)11-12-21(25)27)16-19(22(18)28)24(5,6)14-10-8-2/h11-12,15-16,28H,7-10,13-14H2,1-6H3