phenyl 6-ethoxy-3-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 6-ethoxy-3-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-benzenesulfonate Openeye Name: phenyl 6-ethoxy-3-(1-formamido-3-oxo-propyl)-2-hydroxy-benzenesulfonate CAS Name: 6-ethoxy-3-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-ethoxy-3-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonate Traditional Name: 6-ethoxy-3-(1-formamido-3-keto-propyl)-2-hydroxy-benzenesulfonic acid phenyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H19NO7S/c1-2-25-16-9-8-14(15(10-11-20)19-12-21)17(22)18(16)27(23,24)26-13-6-4-3-5-7-13/h3-9,11-12,15,22H,2,10H2,1H3,(H,19,21)