ethyl 4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propyl-phenoxy]butanoate

Systemtic Name: ethyl 4-[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propyl-phenoxy]butanoate Openeye Name: ethyl 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propyl-phenoxy]butanoate CAS Name: 4-[3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-6-(1-hydroxyethyl)-2-propylphenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propylphenoxy]butanoate Traditional Name: 4-[3-[3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]propoxy]-6-(1-hydroxyethyl)-2-propyl-phenoxy]butyric acid ethyl ester Formula: C31H44O7S MolecularWeight: 560.74186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCC(=O)OCC)C(C)O)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCC(=O)OCC)C(C)O)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C31H44O7S/c1-6-11-25-27(16-14-24(22(5)33)31(25)38-18-9-13-29(34)36-8-3)37-19-10-20-39-28-17-15-23(21(4)32)30(35)26(28)12-7-2/h14-17,22,33,35H,6-13,18-20H2,1-5H3