disodium [4-[(1Z,4E)-2-ethoxy-3-oxidanylidene-5-(4-sulfonatooxyphenyl)penta-1,4-dienyl]phenyl] sulfate

Systemtic Name: disodium [4-[(1Z,4E)-2-ethoxy-3-oxidanylidene-5-(4-sulfonatooxyphenyl)penta-1,4-dienyl]phenyl] sulfate Openeye Name: disodium [4-[(1Z,4E)-2-ethoxy-3-oxo-5-(4-sulfonatooxyphenyl)penta-1,4-dienyl]phenyl] sulfate CAS Name: disodium [4-[(1Z,4E)-2-ethoxy-3-oxo-5-(4-sulfonatooxyphenyl)penta-1,4-dienyl]phenyl] sulfate IUPAC Name: disodium [4-[(1Z,4E)-2-ethoxy-3-oxo-5-(4-sulfonatooxyphenyl)penta-1,4-dienyl]phenyl] sulfate Traditional Name: disodium [4-[(1Z,4E)-2-ethoxy-3-keto-5-(4-sulfatophenyl)penta-1,4-dienyl]phenyl] sulfate Formula: C19H16Na2O10S2 MolecularWeight: 514.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=CC=C(C=C1)OS(=O)(=O)[O-])C(=O)C=CC2=CC=C(C=C2)OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCO/C(=C\C1=CC=C(C=C1)OS(=O)(=O)[O-])/C(=O)/C=C/C2=CC=C(C=C2)OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H18O10S2.2Na/c1-2-27-19(13-15-5-10-17(11-6-15)29-31(24,25)26)18(20)12-7-14-3-8-16(9-4-14)28-30(21,22)23;;/h3-13H,2H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b12-7+,19-13-;;