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

Systemtic Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfonato-phenyl]ethenyl]-5-methyl-benzenesulfonate Openeye Name: disodium 2-[(E)-2-(4-isoindolin-1-yl-2-sulfonato-phenyl)vinyl]-5-methyl-benzenesulfonate CAS Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfonatophenyl]ethenyl]-5-methylbenzenesulfonate IUPAC Name: disodium 2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfonatophenyl]ethenyl]-5-methylbenzenesulfonate Traditional Name: disodium 2-[(E)-2-(4-isoindolin-1-yl-2-sulfonato-phenyl)vinyl]-5-methyl-besylate Formula: C23H19NNa2O6S2 MolecularWeight: 515.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C23H21NO6S2.2Na/c1-15-6-7-16(21(12-15)31(25,26)27)8-9-17-10-11-18(13-22(17)32(28,29)30)23-20-5-3-2-4-19(20)14-24-23;;/h2-13,23-24H,14H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b9-8+;;