(2,3,6-trimethylphenyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (2,3,6-trimethylphenyl) ester Formula: C21H19ClO2S MolecularWeight: 370.89236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)C

InChI

InChI=1S/C21H19ClO2S/c1-13-10-11-14(2)21(15(13)3)24-19(23)12-25-18-9-5-7-16-6-4-8-17(22)20(16)18/h4-11H,12H2,1-3H3