octadecyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: octadecyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: octadecyl 2-hydroxy-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-hydroxy-1,3-dioxo-5-isoindolecarboxylic acid octadecyl ester IUPAC Name: octadecyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-hydroxy-1,3-diketo-isoindoline-5-carboxylic acid stearyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)O

InChI

InChI=1S/C27H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(31)22-18-19-23-24(21-22)26(30)28(32)25(23)29/h18-19,21,32H,2-17,20H2,1H3