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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[(3-chloro-1,4-dioxo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-chloro-1,4-dioxonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)thio]acetic acid benzyl ester Formula: C19H13ClO4S MolecularWeight: 372.82212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C19H13ClO4S/c20-16-17(22)13-8-4-5-9-14(13)18(23)19(16)25-11-15(21)24-10-12-6-2-1-3-7-12/h1-9H,10-11H2