2-[[3,5-bis(2-acetyloxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethyl ethanoate

Systemtic Name: 2-[[3,5-bis(2-acetyloxyethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]ethyl ethanoate Openeye Name: 2-[[3,5-bis(2-acetoxyethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[[3,5-bis[(2-acetyloxyethylthio)methyl]-4-hydroxyphenyl]methylthio]ethyl ester IUPAC Name: 2-[[3,5-bis(2-acetyloxyethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[3,5-bis[(2-acetoxyethylthio)methyl]-4-hydroxy-benzyl]thio]ethyl ester Formula: C21H30O7S3 MolecularWeight: 490.6537

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1=CC(=C(C(=C1)CSCCOC(=O)C)O)CSCCOC(=O)C

Isomeric SMILES

CC(=O)OCCSCC1=CC(=C(C(=C1)CSCCOC(=O)C)O)CSCCOC(=O)C

InChI

InChI=1S/C21H30O7S3/c1-15(22)26-4-7-29-12-18-10-19(13-30-8-5-27-16(2)23)21(25)20(11-18)14-31-9-6-28-17(3)24/h10-11,25H,4-9,12-14H2,1-3H3