4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-oxidanyl-benzoate

Systemtic Name: 4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-oxidanyl-benzoate Openeye Name: 4-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]-2-hydroxy-benzoate CAS Name: 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]-2-hydroxybenzoate IUPAC Name: 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoate Traditional Name: 4-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]-2-hydroxy-benzoate Formula: C16H9N2O6S- MolecularWeight: 357.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)O)C(=O)[O-]

InChI

InChI=1S/C16H10N2O6S/c19-11-5-7(1-3-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)17-16(25)18-14(10)21/h1-6,19H,(H,22,23)(H2,17,18,20,21,25)/p-1