4-[(2-ethoxy-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(2-ethoxy-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(2-ethoxy-6-oxo-pyrimidin-1-yl)methyl]benzenesulfonic acid CAS Name: 4-[(2-ethoxy-6-oxo-1-pyrimidinyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(2-ethoxy-6-oxopyrimidin-1-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(2-ethoxy-6-keto-pyrimidin-1-yl)methyl]besylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC(=O)N1CC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCOC1=NC=CC(=O)N1CC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-2-20-13-14-8-7-12(16)15(13)9-10-3-5-11(6-4-10)21(17,18)19/h3-8H,2,9H2,1H3,(H,17,18,19)