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

Systemtic Name: methyl 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[(3-chloro-1,4-dioxo-2-naphthyl)sulfanyl]propanoate CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)thio]propionic acid methyl ester Formula: C14H11ClO4S MolecularWeight: 310.75274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Isomeric SMILES

CC(C(=O)OC)SC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

InChI

InChI=1S/C14H11ClO4S/c1-7(14(18)19-2)20-13-10(15)11(16)8-5-3-4-6-9(8)12(13)17/h3-7H,1-2H3