(2-ethanoylphenyl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: (2-ethanoylphenyl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (2-acetylphenyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (2-acetylphenyl) ester IUPAC Name: (2-acetylphenyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (2-acetylphenyl) ester Formula: C27H18O4S MolecularWeight: 438.49442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H18O4S/c1-16(28)17-7-4-5-12-23(17)31-25(29)15-32-24-14-13-19-18-8-2-3-9-20(18)27(30)22-11-6-10-21(24)26(19)22/h2-14H,15H2,1H3