(2-oxidanyl-3-phenylsulfanyl-propyl) 4-[(2-oxidanyl-3-phenylsulfanyl-propyl)peroxymethyl]benzoate

Systemtic Name: (2-oxidanyl-3-phenylsulfanyl-propyl) 4-[(2-oxidanyl-3-phenylsulfanyl-propyl)peroxymethyl]benzoate Openeye Name: (2-hydroxy-3-phenylsulfanyl-propyl) 4-[(2-hydroxy-3-phenylsulfanyl-propyl)peroxymethyl]benzoate CAS Name: 4-[[2-hydroxy-3-(phenylthio)propyl]dioxymethyl]benzoic acid [2-hydroxy-3-(phenylthio)propyl] ester IUPAC Name: (2-hydroxy-3-phenylsulfanylpropyl) 4-[(2-hydroxy-3-phenylsulfanylpropyl)peroxymethyl]benzoate Traditional Name: 4-[[2-hydroxy-3-(phenylthio)propyl]peroxymethyl]benzoic acid [2-hydroxy-3-(phenylthio)propyl] ester Formula: C26H28O6S2 MolecularWeight: 500.62692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(COC(=O)C2=CC=C(C=C2)COOCC(CSC3=CC=CC=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(COC(=O)C2=CC=C(C=C2)COOCC(CSC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H28O6S2/c27-22(18-33-24-7-3-1-4-8-24)16-30-26(29)21-13-11-20(12-14-21)15-31-32-17-23(28)19-34-25-9-5-2-6-10-25/h1-14,22-23,27-28H,15-19H2