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

Systemtic Name: 5-dodecoxy-1,3-bis(oxidanylidene)isoindole-2-carboxylic acid Openeye Name: 5-dodecoxy-1,3-dioxo-isoindoline-2-carboxylic acid CAS Name: 5-dodecoxy-1,3-dioxo-2-isoindolecarboxylic acid IUPAC Name: 5-dodecoxy-1,3-dioxoisoindole-2-carboxylic acid Traditional Name: 1,3-diketo-5-lauryloxy-isoindoline-2-carboxylic acid Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)C(=O)N(C2=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)C(=O)N(C2=O)C(=O)O

InChI

InChI=1S/C21H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14-27-16-12-13-17-18(15-16)20(24)22(19(17)23)21(25)26/h12-13,15H,2-11,14H2,1H3,(H,25,26)