2-[6-methyl-2-(6-sulfooxynaphthalen-2-yl)pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[6-methyl-2-(6-sulfooxynaphthalen-2-yl)pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[6-methyl-2-(6-sulfooxy-2-naphthyl)pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[6-methyl-2-(6-sulfooxy-2-naphthalenyl)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[6-methyl-2-(6-sulfooxynaphthalen-2-yl)pyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[6-methyl-2-(6-sulfoxy-2-naphthyl)pyrimidin-4-yl]oxyacetic acid Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OS(=O)(=O)O)OCC(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OS(=O)(=O)O)OCC(=O)O

InChI

InChI=1S/C17H14N2O7S/c1-10-6-15(25-9-16(20)21)19-17(18-10)13-3-2-12-8-14(26-27(22,23)24)5-4-11(12)7-13/h2-8H,9H2,1H3,(H,20,21)(H,22,23,24)