4-ethoxycarbonyl-2-(methoxymethyl)pyrazole-3-sulfinic acid

Systemtic Name: 4-ethoxycarbonyl-2-(methoxymethyl)pyrazole-3-sulfinic acid Openeye Name: 4-ethoxycarbonyl-2-(methoxymethyl)pyrazole-3-sulfinic acid CAS Name: 4-ethoxycarbonyl-2-(methoxymethyl)-3-pyrazolesulfinic acid IUPAC Name: 4-ethoxycarbonyl-2-(methoxymethyl)pyrazole-3-sulfinic acid Traditional Name: 4-carbethoxy-2-(methoxymethyl)pyrazole-3-sulfinic acid Formula: C8H12N2O5S MolecularWeight: 248.25628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)COC)S(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)COC)S(=O)O

InChI

InChI=1S/C8H12N2O5S/c1-3-15-8(11)6-4-9-10(5-14-2)7(6)16(12)13/h4H,3,5H2,1-2H3,(H,12,13)