S-(4-methylphenyl) 11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanethioate

Systemtic Name: S-(4-methylphenyl) 11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanethioate Openeye Name: S-(p-tolyl) 11-(1,3-dioxoisoindolin-2-yl)undecanethioate CAS Name: 11-(1,3-dioxo-2-isoindolyl)undecanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 11-(1,3-dioxoisoindol-2-yl)undecanethioate Traditional Name: 11-phthalimidoundecanethioic acid S-(p-tolyl) ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H31NO3S/c1-20-15-17-21(18-16-20)31-24(28)14-8-6-4-2-3-5-7-11-19-27-25(29)22-12-9-10-13-23(22)26(27)30/h9-10,12-13,15-18H,2-8,11,14,19H2,1H3