methyl 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(3-chloro-1,4-dioxo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-chloro-1,4-dioxonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)thio]acetic acid methyl ester Formula: C13H9ClO4S MolecularWeight: 296.72616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Isomeric SMILES

COC(=O)CSC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

InChI

InChI=1S/C13H9ClO4S/c1-18-9(15)6-19-13-10(14)11(16)7-4-2-3-5-8(7)12(13)17/h2-5H,6H2,1H3