disodium 3-[5,5-bis(4-methylphenyl)-2-(3-sulfonatopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonate

Systemtic Name: disodium 3-[5,5-bis(4-methylphenyl)-2-(3-sulfonatopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonate Openeye Name: disodium 3-[5,5-bis(p-tolyl)-2-(3-sulfonatopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonate CAS Name: disodium 3-[5,5-bis(4-methylphenyl)-1-oxo-2-[oxo(3-sulfonatopropoxy)methyl]penta-2,4-dienoxy]-1-propanesulfonate IUPAC Name: disodium 3-[5,5-bis(4-methylphenyl)-2-(3-sulfonatopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonate Traditional Name: disodium 3-[5,5-bis(p-tolyl)-2-(3-sulfonatopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonate Formula: C26H28Na2O10S2 MolecularWeight: 610.60406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)[O-])C(=O)OCCCS(=O)(=O)[O-])C2=CC=C(C=C2)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)[O-])C(=O)OCCCS(=O)(=O)[O-])C2=CC=C(C=C2)C.[Na+].[Na+]

InChI

InChI=1S/C26H30O10S2.2Na/c1-19-5-9-21(10-6-19)23(22-11-7-20(2)8-12-22)13-14-24(25(27)35-15-3-17-37(29,30)31)26(28)36-16-4-18-38(32,33)34;;/h5-14H,3-4,15-18H2,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2