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

Systemtic Name: [2-(1-hydroxyethyl)-6-propyl-phenyl] 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]butaneperoxoate Openeye Name: [2-(1-hydroxyethyl)-6-propyl-phenyl] 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylpropoxy]butaneperoxoate CAS Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]butaneperoxoic acid [2-(1-hydroxyethyl)-6-propylphenyl] ester IUPAC Name: [2-(1-hydroxyethyl)-6-propylphenyl] 2-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]butaneperoxoate Traditional Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]propoxy]peroxybutyric acid [2-(1-hydroxyethyl)-6-propyl-phenyl] ester Formula: C29H40O7S MolecularWeight: 532.6887

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)C(C)O)OOC(=O)C(CC)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C(=CC=C1)C(C)O)OOC(=O)C(CC)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C29H40O7S/c1-6-11-21-13-9-14-23(20(5)31)28(21)35-36-29(33)25(8-3)34-17-10-18-37-26-16-15-22(19(4)30)27(32)24(26)12-7-2/h9,13-16,20,25,31-32H,6-8,10-12,17-18H2,1-5H3