[(4S)-4-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate

Systemtic Name: [(4S)-4-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)butyl] ester IUPAC Name: [(4S)-4-hydroxy-4-(2-hydroxy-5-iodophenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-hydroxy-4-(2-hydroxy-5-iodo-phenyl)butyl] ester Formula: C12H15IO4S MolecularWeight: 382.21457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)C(CCCOC(=O)CS)O)O

Isomeric SMILES

C1=CC(=C(C=C1I)[C@H](CCCOC(=O)CS)O)O

InChI

InChI=1S/C12H15IO4S/c13-8-3-4-11(15)9(6-8)10(14)2-1-5-17-12(16)7-18/h3-4,6,10,14-15,18H,1-2,5,7H2/t10-/m0/s1