sodium 2,3-dihydro-1H-isoindol-1-yl 4-[(E)-2-phenylethenyl]benzenesulfonate

Systemtic Name: sodium 2,3-dihydro-1H-isoindol-1-yl 4-[(E)-2-phenylethenyl]benzenesulfonate Openeye Name: sodium isoindolin-1-yl 4-[(E)-styryl]benzenesulfonate CAS Name: sodium 4-[(E)-2-phenylethenyl]benzenesulfonic acid 2,3-dihydro-1H-isoindol-1-yl ester IUPAC Name: sodium 2,3-dihydro-1H-isoindol-1-yl 4-[(E)-2-phenylethenyl]benzenesulfonate Traditional Name: sodium 4-[(E)-styryl]benzenesulfonic acid isoindolin-1-yl ester Formula: C22H19NNaO3S+ MolecularWeight: 400.44593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1)OS(=O)(=O)C3=CC=C(C=C3)C=CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1C2=CC=CC=C2C(N1)OS(=O)(=O)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H19NO3S.Na/c24-27(25,26-22-21-9-5-4-8-19(21)16-23-22)20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17;/h1-15,22-23H,16H2;/q;+1/b11-10+;