[(E)-[2,2,2-tris(fluoranyl)-1-(4-phenoxyphenyl)ethylidene]amino] propane-1-sulfonate

Systemtic Name: [(E)-[2,2,2-tris(fluoranyl)-1-(4-phenoxyphenyl)ethylidene]amino] propane-1-sulfonate Openeye Name: [(E)-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(E)-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(E)-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]amino] ester Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C(C1=CC=C(C=C1)OC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)O/N=C(\C1=CC=C(C=C1)OC2=CC=CC=C2)/C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S/c1-2-12-26(22,23)25-21-16(17(18,19)20)13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/b21-16+