2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethylphenoxy]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethylphenoxy]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]hexyl]isoindoline-1,3-quinone Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2C)OCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2C)OCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C30H33NO3/c1-20-12-11-13-21(2)27(20)28-22(3)18-24(19-23(28)4)34-17-10-6-5-9-16-31-29(32)25-14-7-8-15-26(25)30(31)33/h7-8,11-15,18-19H,5-6,9-10,16-17H2,1-4H3