3-[5,5-diphenyl-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[5,5-diphenyl-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Openeye Name: 3-[5,5-diphenyl-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid CAS Name: 3-[1-oxo-2-[oxo(3-sulfopropoxy)methyl]-5,5-diphenylpenta-2,4-dienoxy]-1-propanesulfonic acid IUPAC Name: 3-[5,5-diphenyl-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Traditional Name: 3-[5,5-diphenyl-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Formula: C24H26O10S2 MolecularWeight: 538.58724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C24H26O10S2/c25-23(33-15-7-17-35(27,28)29)22(24(26)34-16-8-18-36(30,31)32)14-13-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-14H,7-8,15-18H2,(H,27,28,29)(H,30,31,32)