methyl 4-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[1-oxo-2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C28H20O5S MolecularWeight: 468.5204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20O5S/c1-32-28(31)18-11-9-17(10-12-18)15-33-25(29)16-34-24-14-13-20-19-5-2-3-6-21(19)27(30)23-8-4-7-22(24)26(20)23/h2-14H,15-16H2,1H3