2-ethylhexyl 6-[1,3-bis(oxidanylidene)-3a,4,5,7a-tetrahydroisoindol-2-yl]hexanoate

Systemtic Name: 2-ethylhexyl 6-[1,3-bis(oxidanylidene)-3a,4,5,7a-tetrahydroisoindol-2-yl]hexanoate Openeye Name: 2-ethylhexyl 6-(1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl)hexanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 6-(1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-3a,4,5,7a-tetrahydroisoindol-2-yl)hexanoic acid 2-ethylhexyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCCCCN1C(=O)C2CCC=CC2C1=O

Isomeric SMILES

CCCCC(CC)COC(=O)CCCCCN1C(=O)C2CCC=CC2C1=O

InChI

InChI=1S/C22H35NO4/c1-3-5-11-17(4-2)16-27-20(24)14-7-6-10-15-23-21(25)18-12-8-9-13-19(18)22(23)26/h8,12,17-19H,3-7,9-11,13-16H2,1-2H3