2-[1-oxidanylidene-4-(2,4,5-trimethylphenyl)sulfonylimino-naphthalen-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-oxidanylidene-4-(2,4,5-trimethylphenyl)sulfonylimino-naphthalen-2-yl]sulfanylethanoate Openeye Name: 2-[[1-oxo-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[1-oxo-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthalenyl]thio]acetate IUPAC Name: 2-[1-oxo-4-(2,4,5-trimethylphenyl)sulfonyliminonaphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[1-keto-4-(2,4,5-trimethylphenyl)sulfonylimino-2-naphthyl]thio]acetate Formula: C21H18NO5S2- MolecularWeight: 428.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)[O-])C

InChI

InChI=1S/C21H19NO5S2/c1-12-8-14(3)19(9-13(12)2)29(26,27)22-17-10-18(28-11-20(23)24)21(25)16-7-5-4-6-15(16)17/h4-10H,11H2,1-3H3,(H,23,24)/p-1