4,6-dimethyl-1H-pyrimidin-2-one; 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonic acid

Systemtic Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonic acid Openeye Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methyl-1,4-dioxo-tetralin-2-sulfonic acid CAS Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid IUPAC Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid Traditional Name: 1,4-diketo-2-methyl-tetralin-2-sulfonic acid; 4,6-dimethyl-1H-pyrimidin-2-one Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)C.CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=NC(=O)N1)C.CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O

InChI

InChI=1S/C11H10O5S.C6H8N2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;1-4-3-5(2)8-6(9)7-4/h2-5H,6H2,1H3,(H,14,15,16);3H,1-2H3,(H,7,8,9)