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

Systemtic Name: disodium 2-[5,5-bis(4-methoxyphenyl)-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Openeye Name: disodium 2-[5,5-bis(4-methoxyphenyl)-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate CAS Name: disodium 2-[5,5-bis(4-methoxyphenyl)-1-oxo-2-[oxo(2-sulfonatoethoxy)methyl]penta-2,4-dienoxy]ethanesulfonate IUPAC Name: disodium 2-[5,5-bis(4-methoxyphenyl)-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Traditional Name: disodium 2-[5,5-bis(4-methoxyphenyl)-2-(2-sulfonatoethoxycarbonyl)penta-2,4-dienoyl]oxyethanesulfonate Formula: C24H24Na2O12S2 MolecularWeight: 614.5497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)[O-])C(=O)OCCS(=O)(=O)[O-])C2=CC=C(C=C2)OC.[Na+].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=CC=C(C(=O)OCCS(=O)(=O)[O-])C(=O)OCCS(=O)(=O)[O-])C2=CC=C(C=C2)OC.[Na+].[Na+]

InChI

InChI=1S/C24H26O12S2.2Na/c1-33-19-7-3-17(4-8-19)21(18-5-9-20(34-2)10-6-18)11-12-22(23(25)35-13-15-37(27,28)29)24(26)36-14-16-38(30,31)32;;/h3-12H,13-16H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2