dimethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-hexylsulfonyl-pentanedioate

Systemtic Name: dimethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-hexylsulfonyl-pentanedioate Openeye Name: dimethyl 2-(1,3-dioxoisoindolin-2-yl)-4-hexylsulfonyl-pentanedioate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-hexylsulfonylpentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-dioxoisoindol-2-yl)-4-hexylsulfonylpentanedioate Traditional Name: 2-hexylsulfonyl-4-phthalimido-glutaric acid dimethyl ester Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)C(=O)OC

Isomeric SMILES

CCCCCCS(=O)(=O)C(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)C(=O)OC

InChI

InChI=1S/C21H27NO8S/c1-4-5-6-9-12-31(27,28)17(21(26)30-3)13-16(20(25)29-2)22-18(23)14-10-7-8-11-15(14)19(22)24/h7-8,10-11,16-17H,4-6,9,12-13H2,1-3H3