phenyl 3-ethoxy-4-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-benzenesulfonate

Systemtic Name: phenyl 3-ethoxy-4-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-benzenesulfonate Openeye Name: phenyl 3-ethoxy-4-(1-formamido-3-oxo-propyl)-2-iodo-benzenesulfonate CAS Name: 3-ethoxy-4-(1-formamido-3-oxopropyl)-2-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethoxy-4-(1-formamido-3-oxopropyl)-2-iodobenzenesulfonate Traditional Name: 3-ethoxy-4-(1-formamido-3-keto-propyl)-2-iodo-benzenesulfonic acid phenyl ester Formula: C18H18INO6S MolecularWeight: 503.30809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1I)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CCOC1=C(C=CC(=C1I)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C18H18INO6S/c1-2-25-18-14(15(10-11-21)20-12-22)8-9-16(17(18)19)27(23,24)26-13-6-4-3-5-7-13/h3-9,11-12,15H,2,10H2,1H3,(H,20,22)