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

Systemtic Name: 2-[6-[3-(2,6-dimethylphenyl)-2,4-dimethyl-phenoxy]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[3-(2,6-dimethylphenyl)-2,4-dimethyl-phenoxy]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[3-(2,6-dimethylphenyl)-2,4-dimethylphenoxy]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[3-(2,6-dimethylphenyl)-2,4-dimethylphenoxy]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[3-(2,6-dimethylphenyl)-2,4-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=CC(=C2C)OCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C=CC(=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)16-17-26(23(28)4)34-19-10-6-5-9-18-31-29(32)24-14-7-8-15-25(24)30(31)33/h7-8,11-17H,5-6,9-10,18-19H2,1-4H3