[(Z)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenylselanyl-hex-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenylselanyl-hex-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-6-(1,3-dioxoisoindolin-2-yl)-1-phenylselanyl-hex-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-6-(1,3-dioxo-2-isoindolyl)-1-(phenylseleno)hex-1-enyl] ester IUPAC Name: [(Z)-6-(1,3-dioxoisoindol-2-yl)-1-phenylselanylhex-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(phenylseleno)-6-phthalimido-hex-1-enyl] ester Formula: C27H25NO5SSe MolecularWeight: 554.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CCCCCN2C(=O)C3=CC=CC=C3C2=O)[Se]C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/CCCCN2C(=O)C3=CC=CC=C3C2=O)/[Se]C4=CC=CC=C4

InChI

InChI=1S/C27H25NO5SSe/c1-20-15-17-21(18-16-20)34(31,32)33-25(35-22-10-4-2-5-11-22)14-6-3-9-19-28-26(29)23-12-7-8-13-24(23)27(28)30/h2,4-5,7-8,10-18H,3,6,9,19H2,1H3/b25-14-