2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methylnaphthalene-1-sulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methylnaphthalene-1-sulfonate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methylnaphthalene-1-sulfonate CAS Name: 4-methyl-1-naphthalenesulfonic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylnaphthalene-1-sulfonate Traditional Name: 4-methylnaphthalene-1-sulfonic acid 2-phthalimidoethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17NO5S/c1-14-10-11-19(16-7-3-2-6-15(14)16)28(25,26)27-13-12-22-20(23)17-8-4-5-9-18(17)21(22)24/h2-11H,12-13H2,1H3