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

Systemtic Name: ethyl 3-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanylmethyl]-2-(3-ethoxy-3-oxidanylidene-propyl)-1,3-dithiolan-2-yl]propanoate Openeye Name: ethyl 3-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanylmethyl]-2-(3-ethoxy-3-oxo-propyl)-1,3-dithiolan-2-yl]propanoate CAS Name: 3-[4-[[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]methyl]-2-(3-ethoxy-3-oxopropyl)-1,3-dithiolan-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanylmethyl]-2-(3-ethoxy-3-oxopropyl)-1,3-dithiolan-2-yl]propanoate Traditional Name: 3-[4-[[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]methyl]-2-(3-ethoxy-3-keto-propyl)-1,3-dithiolan-2-yl]propionic acid ethyl ester Formula: C29H44O7S3 MolecularWeight: 600.85046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSCC2CSC(S2)(CCC(=O)OCC)CCC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSCC2CSC(S2)(CCC(=O)OCC)CCC(=O)OCC

InChI

InChI=1S/C29H44O7S3/c1-5-10-24-25(12-11-23(21(4)30)28(24)33)36-17-8-9-18-37-19-22-20-38-29(39-22,15-13-26(31)34-6-2)16-14-27(32)35-7-3/h11-12,22,33H,5-10,13-20H2,1-4H3