5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-ethoxy-2-sulfo-phenyl)vinyl]-5-isoindolin-1-yl-benzenesulfonic acid CAS Name: 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(E)-2-(4-ethoxy-2-sulfo-phenyl)vinyl]-5-isoindolin-1-yl-besylic acid Formula: C24H23NO7S2 MolecularWeight: 501.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H23NO7S2/c1-2-32-20-12-11-17(23(14-20)34(29,30)31)8-7-16-9-10-18(13-22(16)33(26,27)28)24-21-6-4-3-5-19(21)15-25-24/h3-14,24-25H,2,15H2,1H3,(H,26,27,28)(H,29,30,31)/b8-7+