disodium 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfonato-phenyl)ethenyl]benzenesulfonate

Systemtic Name: disodium 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: disodium 2-[(E)-2-(4-ethoxy-2-sulfonato-phenyl)vinyl]-5-isoindolin-1-yl-benzenesulfonate CAS Name: disodium 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: disodium 5-(2,3-dihydro-1H-isoindol-1-yl)-2-[(E)-2-(4-ethoxy-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: disodium 2-[(E)-2-(4-ethoxy-2-sulfonato-phenyl)vinyl]-5-isoindolin-1-yl-besylate Formula: C24H21NNa2O7S2 MolecularWeight: 545.53558

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C24H23NO7S2.2Na/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);;/q;2*+1/p-2/b8-7+;;