2-octadecyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-octadecyl-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-octadecyl-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-octadecyl-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-octadecyl-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-stearyl-isoindoline-5-carboxylic acid Formula: C27H41NO4 MolecularWeight: 443.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C27H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25(29)23-19-18-22(27(31)32)21-24(23)26(28)30/h18-19,21H,2-17,20H2,1H3,(H,31,32)