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

Systemtic Name: 3-[5,5-bis(4-methoxyphenyl)-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Openeye Name: 3-[5,5-bis(4-methoxyphenyl)-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid CAS Name: 3-[5,5-bis(4-methoxyphenyl)-1-oxo-2-[oxo(3-sulfopropoxy)methyl]penta-2,4-dienoxy]-1-propanesulfonic acid IUPAC Name: 3-[5,5-bis(4-methoxyphenyl)-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Traditional Name: 3-[5,5-bis(4-methoxyphenyl)-2-(3-sulfopropoxycarbonyl)penta-2,4-dienoyl]oxypropane-1-sulfonic acid Formula: C26H30O12S2 MolecularWeight: 598.6392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=CC=C(C(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C26H30O12S2/c1-35-21-9-5-19(6-10-21)23(20-7-11-22(36-2)12-8-20)13-14-24(25(27)37-15-3-17-39(29,30)31)26(28)38-16-4-18-40(32,33)34/h5-14H,3-4,15-18H2,1-2H3,(H,29,30,31)(H,32,33,34)