ethyl (Z)-2-[(S)-(3-cyanophenyl)-oxidanyl-methyl]-3-iodanyl-prop-2-enoate

Systemtic Name: ethyl (Z)-2-[(S)-(3-cyanophenyl)-oxidanyl-methyl]-3-iodanyl-prop-2-enoate Openeye Name: ethyl (Z)-2-[(S)-(3-cyanophenyl)-hydroxy-methyl]-3-iodo-prop-2-enoate CAS Name: (Z)-2-[(S)-(3-cyanophenyl)-hydroxymethyl]-3-iodo-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-[(S)-(3-cyanophenyl)-hydroxymethyl]-3-iodoprop-2-enoate Traditional Name: (Z)-2-[(S)-(3-cyanophenyl)-hydroxy-methyl]-3-iodo-acrylic acid ethyl ester Formula: C13H12INO3 MolecularWeight: 357.14375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CI)C(C1=CC=CC(=C1)C#N)O

Isomeric SMILES

CCOC(=O)/C(=C\I)/[C@H](C1=CC=CC(=C1)C#N)O

InChI

InChI=1S/C13H12INO3/c1-2-18-13(17)11(7-14)12(16)10-5-3-4-9(6-10)8-15/h3-7,12,16H,2H2,1H3/b11-7-/t12-/m0/s1