(3-fluoranyl-4-methoxy-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C27H19FO4S MolecularWeight: 458.500763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)F

InChI

InChI=1S/C27H19FO4S/c1-31-23-11-9-16(13-22(23)28)14-32-25(29)15-33-24-12-10-18-17-5-2-3-6-19(17)27(30)21-8-4-7-20(24)26(18)21/h2-13H,14-15H2,1H3