2-octadecyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-octadecyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-octadecyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-octadecyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-octadecyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-stearyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2CC=CCC2C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2CC=CCC2C1=O

InChI

InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,23-24H,2-16,19-22H2,1H3