2-[8-(3-chloranyl-5-methyl-4-phenyl-phenoxy)octyl]isoindole-1,3-dione

Systemtic Name: 2-[8-(3-chloranyl-5-methyl-4-phenyl-phenoxy)octyl]isoindole-1,3-dione Openeye Name: 2-[8-(3-chloro-5-methyl-4-phenyl-phenoxy)octyl]isoindoline-1,3-dione CAS Name: 2-[8-(3-chloro-5-methyl-4-phenylphenoxy)octyl]isoindole-1,3-dione IUPAC Name: 2-[8-(3-chloro-5-methyl-4-phenylphenoxy)octyl]isoindole-1,3-dione Traditional Name: 2-[8-(3-chloro-5-methyl-4-phenyl-phenoxy)octyl]isoindoline-1,3-quinone Formula: C29H30ClNO3 MolecularWeight: 476.0064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=CC=C2)Cl)OCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=CC=C2)Cl)OCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H30ClNO3/c1-21-19-23(20-26(30)27(21)22-13-7-6-8-14-22)34-18-12-5-3-2-4-11-17-31-28(32)24-15-9-10-16-25(24)29(31)33/h6-10,13-16,19-20H,2-5,11-12,17-18H2,1H3