2-[2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylethanoate

Systemtic Name: 2-[2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylethanoate Openeye Name: 2-[2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylacetate CAS Name: 2-[[2-(2,3,4-trimethoxyphenyl)cycloheptyl]thio]acetate IUPAC Name: 2-[2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylacetate Traditional Name: 2-[[2-(2,3,4-trimethoxyphenyl)cycloheptyl]thio]acetate Formula: C18H25O5S- MolecularWeight: 353.4531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CCCCCC2SCC(=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CCCCCC2SCC(=O)[O-])OC)OC

InChI

InChI=1S/C18H26O5S/c1-21-14-10-9-13(17(22-2)18(14)23-3)12-7-5-4-6-8-15(12)24-11-16(19)20/h9-10,12,15H,4-8,11H2,1-3H3,(H,19,20)/p-1