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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C29H22O5S MolecularWeight: 482.54698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22O5S/c1-17(30)18-10-12-25(33-2)19(14-18)15-34-27(31)16-35-26-13-11-21-20-6-3-4-7-22(20)29(32)24-9-5-8-23(26)28(21)24/h3-14H,15-16H2,1-2H3