octyl 3-(3-tert-butyl-5-iodanyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate

Systemtic Name: octyl 3-(3-tert-butyl-5-iodanyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate Openeye Name: octyl 3-(3-tert-butyl-4-hydroxy-5-iodo-phenyl)-2-sulfanyl-propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-iodophenyl)-2-mercaptopropanoic acid octyl ester IUPAC Name: octyl 3-(3-tert-butyl-4-hydroxy-5-iodophenyl)-2-sulfanylpropanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-iodo-phenyl)-2-mercapto-propionic acid octyl ester Formula: C21H33IO3S MolecularWeight: 492.45439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)I)O)C(C)(C)C)S

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)I)O)C(C)(C)C)S

InChI

InChI=1S/C21H33IO3S/c1-5-6-7-8-9-10-11-25-20(24)18(26)14-15-12-16(21(2,3)4)19(23)17(22)13-15/h12-13,18,23,26H,5-11,14H2,1-4H3