dimethyl 2-(4-ethoxy-3-methoxy-5-propylsulfanyl-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioate

Systemtic Name: dimethyl 2-(4-ethoxy-3-methoxy-5-propylsulfanyl-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioate Openeye Name: dimethyl 2-(4-ethoxy-3-methoxy-5-propylsulfanyl-phenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioate CAS Name: 2-[4-ethoxy-3-methoxy-5-(propylthio)phenyl]-5-(3,4,5-trimethoxyphenyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-ethoxy-3-methoxy-5-propylsulfanylphenyl)-5-(3,4,5-trimethoxyphenyl)hexanedioate Traditional Name: 2-[4-ethoxy-3-methoxy-5-(propylthio)phenyl]-5-(3,4,5-trimethoxyphenyl)adipic acid dimethyl ester Formula: C29H40O9S MolecularWeight: 564.6875

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=CC(=C1OCC)OC)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCSC1=CC(=CC(=C1OCC)OC)C(CCC(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H40O9S/c1-9-13-39-25-17-19(16-24(34-5)27(25)38-10-2)21(29(31)37-8)12-11-20(28(30)36-7)18-14-22(32-3)26(35-6)23(15-18)33-4/h14-17,20-21H,9-13H2,1-8H3