(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(4-bromo-8-chloro-1-naphthalenyl)thio]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(4-bromo-8-chloro-1-naphthyl)thio]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H18BrClO3S MolecularWeight: 429.75572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CSC1=C2C(=C(C=C1)Br)C=CC=C2Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CSC1=C2C(=C(C=C1)Br)C=CC=C2Cl

InChI

InChI=1S/C18H18BrClO3S/c1-18(2,3)15(21)9-23-16(22)10-24-14-8-7-12(19)11-5-4-6-13(20)17(11)14/h4-8H,9-10H2,1-3H3