2-[7-[4-(2-chloranyl-6-ethyl-phenyl)phenoxy]heptyl]isoindole-1,3-dione

Systemtic Name: 2-[7-[4-(2-chloranyl-6-ethyl-phenyl)phenoxy]heptyl]isoindole-1,3-dione Openeye Name: 2-[7-[4-(2-chloro-6-ethyl-phenyl)phenoxy]heptyl]isoindoline-1,3-dione CAS Name: 2-[7-[4-(2-chloro-6-ethylphenyl)phenoxy]heptyl]isoindole-1,3-dione IUPAC Name: 2-[7-[4-(2-chloro-6-ethylphenyl)phenoxy]heptyl]isoindole-1,3-dione Traditional Name: 2-[7-[4-(2-chloro-6-ethyl-phenyl)phenoxy]heptyl]isoindoline-1,3-quinone Formula: C29H30ClNO3 MolecularWeight: 476.0064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)Cl)C2=CC=C(C=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=C(C(=CC=C1)Cl)C2=CC=C(C=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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