3-oxidanyl-2-(3-oxidanyloctadecan-2-yl)-3H-isoindol-1-one

Systemtic Name: 3-oxidanyl-2-(3-oxidanyloctadecan-2-yl)-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-(2-hydroxy-1-methyl-heptadecyl)isoindolin-1-one CAS Name: 3-hydroxy-2-(3-hydroxyoctadecan-2-yl)-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-(3-hydroxyoctadecan-2-yl)-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-(2-hydroxy-1-methyl-heptadecyl)isoindolin-1-one Formula: C26H43NO3 MolecularWeight: 417.62452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)N1C(C2=CC=CC=C2C1=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)N1C(C2=CC=CC=C2C1=O)O)O

InChI

InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24(28)21(2)27-25(29)22-18-16-17-19-23(22)26(27)30/h16-19,21,24-25,28-29H,3-15,20H2,1-2H3