2-[5,5-diphenyl-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid

Systemtic Name: 2-[5,5-diphenyl-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Openeye Name: 2-[5,5-diphenyl-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid CAS Name: 2-[1-oxo-2-[oxo(2-sulfoethoxy)methyl]-5,5-diphenylpenta-2,4-dienoxy]ethanesulfonic acid IUPAC Name: 2-[5,5-diphenyl-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Traditional Name: 2-[5,5-diphenyl-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Formula: C22H22O10S2 MolecularWeight: 510.53408

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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

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

InChI

InChI=1S/C22H22O10S2/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)