2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecyl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecyl]-4-methyl-benzenesulfonate Openeye Name: 2-[11-(1,3-dioxoisoindolin-2-yl)undecyl]-4-methyl-benzenesulfonate CAS Name: 2-[11-(1,3-dioxo-2-isoindolyl)undecyl]-4-methylbenzenesulfonate IUPAC Name: 2-[11-(1,3-dioxoisoindol-2-yl)undecyl]-4-methylbenzenesulfonate Traditional Name: 4-methyl-2-(11-phthalimidoundecyl)besylate Formula: C26H32NO5S- MolecularWeight: 470.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H33NO5S/c1-20-16-17-24(33(30,31)32)21(19-20)13-9-7-5-3-2-4-6-8-12-18-27-25(28)22-14-10-11-15-23(22)26(27)29/h10-11,14-17,19H,2-9,12-13,18H2,1H3,(H,30,31,32)/p-1