2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid

Systemtic Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid Openeye Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid CAS Name: 2-[3-methoxy-5-(methylthio)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)hexanedioic acid IUPAC Name: 2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioic acid Traditional Name: 2-[3-methoxy-5-(methylthio)-4-propoxy-phenyl]-5-(3,4,5-trimethoxyphenyl)adipic acid Formula: C26H34O9S MolecularWeight: 522.60776

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1SC)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1SC)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C26H34O9S/c1-7-10-35-24-21(33-4)13-16(14-22(24)36-6)18(26(29)30)9-8-17(25(27)28)15-11-19(31-2)23(34-5)20(12-15)32-3/h11-14,17-18H,7-10H2,1-6H3,(H,27,28)(H,29,30)