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

Systemtic Name: ethyl 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid ethyl ester Formula: C21H16O3S MolecularWeight: 348.41494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16O3S/c1-2-24-19(22)12-25-18-11-10-14-13-6-3-4-7-15(13)21(23)17-9-5-8-16(18)20(14)17/h3-11H,2,12H2,1H3