(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C26H16ClFO3S MolecularWeight: 462.919843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=C(C=CC=C5Cl)F)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=C(C=CC=C5Cl)F)C=CC=C4C2=O

InChI

InChI=1S/C26H16ClFO3S/c27-21-9-4-10-22(28)20(21)13-31-24(29)14-32-23-12-11-16-15-5-1-2-6-17(15)26(30)19-8-3-7-18(23)25(16)19/h1-12H,13-14H2