3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(3S)-1,1-dioxo-3-thiolanyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(3S)-1,1-diketothiolan-3-yl]-4-keto-phthalazine-1-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C13H12N2O5S/c16-12-10-4-2-1-3-9(10)11(13(17)18)14-15(12)8-5-6-21(19,20)7-8/h1-4,8H,5-7H2,(H,17,18)/t8-/m0/s1