2-[4-(4-methylanthracen-9-yl)oxybutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylanthracen-9-yl)oxybutyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-methyl-9-anthryl)oxy]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-methyl-9-anthracenyl)oxy]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylanthracen-9-yl)oxybutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-methyl-9-anthryl)oxy]butyl]isoindoline-1,3-quinone Formula: C27H23NO3 MolecularWeight: 409.47642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=CC=CC=C3C=C12)OCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC2=C(C3=CC=CC=C3C=C12)OCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H23NO3/c1-18-9-8-14-21-24(18)17-19-10-2-3-11-20(19)25(21)31-16-7-6-15-28-26(29)22-12-4-5-13-23(22)27(28)30/h2-5,8-14,17H,6-7,15-16H2,1H3