disodium 2-[5,5-diphenyl-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate

Systemtic Name: disodium 2-[5,5-diphenyl-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Openeye Name: disodium 2-[5,5-diphenyl-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate CAS Name: disodium 2-[1-oxo-2-[oxo(2-sulfonatoethoxy)methyl]-5,5-diphenylpenta-2,4-dienoxy]ethanesulfonate IUPAC Name: disodium 2-[5,5-diphenyl-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Traditional Name: disodium 2-[5,5-diphenyl-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Formula: C22H20Na2O10S2 MolecularWeight: 554.49774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)[O-])C(=O)OCCS(=O)(=O)[O-])C2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)[O-])C(=O)OCCS(=O)(=O)[O-])C2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C22H22O10S2.2Na/c23-21(31-13-15-33(25,26)27)20(22(24)32-14-16-34(28,29)30)12-11-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18;;/h1-12H,13-16H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2