[3-(trifluoromethyl)phenyl]methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [3-(trifluoromethyl)benzyl] ester Formula: C27H17F3O3S MolecularWeight: 478.48229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC(=CC=C5)C(F)(F)F)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC5=CC(=CC=C5)C(F)(F)F)C=CC=C4C2=O

InChI

InChI=1S/C27H17F3O3S/c28-27(29,30)17-6-3-5-16(13-17)14-33-24(31)15-34-23-12-11-19-18-7-1-2-8-20(18)26(32)22-10-4-9-21(23)25(19)22/h1-13H,14-15H2