2-[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-oxo-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[(4E)-4-(2,5-dimethylphenyl)sulfonylimino-1-keto-2-naphthyl]thio]acetic acid Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)/N=C/2\C=C(C(=O)C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C20H17NO5S2/c1-12-7-8-13(2)18(9-12)28(25,26)21-16-10-17(27-11-19(22)23)20(24)15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,22,23)/b21-16+