6-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]-oxidanyl-methyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]-oxidanyl-methyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)-hydroxy-methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-hydroxymethyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-hydroxymethyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)-hydroxy-methyl]-2,3-dimethoxy-benzoic acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2C(=O)NC(=S)NC2=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2C(=O)NC(=S)NC2=O)O)C(=O)O)OC

InChI

InChI=1S/C14H14N2O7S/c1-22-6-4-3-5(7(13(20)21)10(6)23-2)9(17)8-11(18)15-14(24)16-12(8)19/h3-4,8-9,17H,1-2H3,(H,20,21)(H2,15,16,18,19,24)