2-[4-(2,4-dipentylphenoxy)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2,4-dipentylphenoxy)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2,4-dipentylphenoxy)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2,4-dipentylphenoxy)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2,4-dipentylphenoxy)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(2,4-diamylphenoxy)butyl]isoindoline-1,3-quinone Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)CCCCC

InChI

InChI=1S/C28H37NO3/c1-3-5-7-13-22-17-18-26(23(21-22)14-8-6-4-2)32-20-12-11-19-29-27(30)24-15-9-10-16-25(24)28(29)31/h9-10,15-18,21H,3-8,11-14,19-20H2,1-2H3