3-(1-tert-butyl-2-sulfanylidene-pyridin-1-ium-3-ylidene)-2-methyl-prop-2-enoic acid

Systemtic Name: 3-(1-tert-butyl-2-sulfanylidene-pyridin-1-ium-3-ylidene)-2-methyl-prop-2-enoic acid Openeye Name: 3-(1-tert-butyl-2-thioxo-pyridin-1-ium-3-ylidene)-2-methyl-prop-2-enoic acid CAS Name: 3-(1-tert-butyl-2-sulfanylidene-3-pyridin-1-iumylidene)-2-methyl-2-propenoic acid IUPAC Name: 3-(1-tert-butyl-2-sulfanylidenepyridin-1-ium-3-ylidene)-2-methylprop-2-enoic acid Traditional Name: 3-(1-tert-butyl-2-thioxo-pyridin-1-ium-3-ylidene)-2-methyl-acrylic acid Formula: C13H16NO2S+ MolecularWeight: 250.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C1C=CC=[N+](C1=S)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(=C=C1C=CC=[N+](C1=S)C(C)(C)C)C(=O)O

InChI

InChI=1S/C13H15NO2S/c1-9(12(15)16)8-10-6-5-7-14(11(10)17)13(2,3)4/h5-7H,1-4H3/p+1