2-[[4-oxidanyl-3,5-bis[2-(phenylcarbonyloxy)ethylsulfanylmethyl]phenyl]methylsulfanyl]ethyl benzoate

Systemtic Name: 2-[[4-oxidanyl-3,5-bis[2-(phenylcarbonyloxy)ethylsulfanylmethyl]phenyl]methylsulfanyl]ethyl benzoate Openeye Name: 2-[[3,5-bis(2-benzoyloxyethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[3,5-bis[(2-benzoyloxyethylthio)methyl]-4-hydroxyphenyl]methylthio]ethyl ester IUPAC Name: 2-[[3,5-bis(2-benzoyloxyethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[3,5-bis[(2-benzoyloxyethylthio)methyl]-4-hydroxy-benzyl]thio]ethyl ester Formula: C36H36O7S3 MolecularWeight: 676.86184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSCC2=CC(=C(C(=C2)CSCCOC(=O)C3=CC=CC=C3)O)CSCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSCC2=CC(=C(C(=C2)CSCCOC(=O)C3=CC=CC=C3)O)CSCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C36H36O7S3/c37-33-31(25-45-20-17-42-35(39)29-12-6-2-7-13-29)22-27(24-44-19-16-41-34(38)28-10-4-1-5-11-28)23-32(33)26-46-21-18-43-36(40)30-14-8-3-9-15-30/h1-15,22-23,37H,16-21,24-26H2