ethyl 3-[4-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentylsulfanylmethyl]-2-(3-ethoxy-3-oxidanylidene-propyl)-1,3-dithiolan-2-yl]propanoate

Systemtic Name: ethyl 3-[4-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentylsulfanylmethyl]-2-(3-ethoxy-3-oxidanylidene-propyl)-1,3-dithiolan-2-yl]propanoate Openeye Name: ethyl 3-[4-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentylsulfanylmethyl]-2-(3-ethoxy-3-oxo-propyl)-1,3-dithiolan-2-yl]propanoate CAS Name: 3-[4-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentylthio]methyl]-2-(3-ethoxy-3-oxopropyl)-1,3-dithiolan-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentylsulfanylmethyl]-2-(3-ethoxy-3-oxopropyl)-1,3-dithiolan-2-yl]propanoate Traditional Name: 3-[4-[[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentylthio]methyl]-2-(3-ethoxy-3-keto-propyl)-1,3-dithiolan-2-yl]propionic acid ethyl ester Formula: C30H46O7S3 MolecularWeight: 614.87704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCSCC2CSC(S2)(CCC(=O)OCC)CCC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCSCC2CSC(S2)(CCC(=O)OCC)CCC(=O)OCC

InChI

InChI=1S/C30H46O7S3/c1-5-11-25-26(13-12-24(22(4)31)29(25)34)37-18-9-8-10-19-38-20-23-21-39-30(40-23,16-14-27(32)35-6-2)17-15-28(33)36-7-3/h12-13,23,34H,5-11,14-21H2,1-4H3