[2-ethoxy-4-[(E)-hydroxyiminomethyl]-6-iodanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethoxy-4-[(E)-hydroxyiminomethyl]-6-iodanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-[(E)-hydroxyiminomethyl]-6-iodo-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(E)-hydroxyiminomethyl]-6-iodophenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-hydroxyiminomethyl]-6-iodophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(E)-hydroximinomethyl]-6-iodo-phenyl] ester Formula: C16H16INO5S MolecularWeight: 461.27141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NO)I)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/O)I)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H16INO5S/c1-3-22-15-9-12(10-18-19)8-14(17)16(15)23-24(20,21)13-6-4-11(2)5-7-13/h4-10,19H,3H2,1-2H3/b18-10+