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

Systemtic Name: 2-[5,5-bis(4-methylphenyl)-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Openeye Name: 2-[5,5-bis(p-tolyl)-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid CAS Name: 2-[5,5-bis(4-methylphenyl)-1-oxo-2-[oxo(2-sulfoethoxy)methyl]penta-2,4-dienoxy]ethanesulfonic acid IUPAC Name: 2-[5,5-bis(4-methylphenyl)-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Traditional Name: 2-[5,5-bis(p-tolyl)-2-(2-sulfoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonic acid Formula: C24H26O10S2 MolecularWeight: 538.58724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)O)C(=O)OCCS(=O)(=O)O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)O)C(=O)OCCS(=O)(=O)O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H26O10S2/c1-17-3-7-19(8-4-17)21(20-9-5-18(2)6-10-20)11-12-22(23(25)33-13-15-35(27,28)29)24(26)34-14-16-36(30,31)32/h3-12H,13-16H2,1-2H3,(H,27,28,29)(H,30,31,32)