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

Systemtic Name: cyanomethyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: cyanomethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid cyanomethyl ester Formula: C21H13NO3S MolecularWeight: 359.39782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC#N)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC#N)C=CC=C4C2=O

InChI

InChI=1S/C21H13NO3S/c22-10-11-25-19(23)12-26-18-9-8-14-13-4-1-2-5-15(13)21(24)17-7-3-6-16(18)20(14)17/h1-9H,11-12H2