3-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)oxypropane-1-sulfonate

Systemtic Name: 3-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)oxypropane-1-sulfonate Openeye Name: 3-(4-oxo-3-phenyl-phthalazin-1-yl)oxypropane-1-sulfonate CAS Name: 3-[(4-oxo-3-phenyl-1-phthalazinyl)oxy]-1-propanesulfonate IUPAC Name: 3-(4-oxo-3-phenylphthalazin-1-yl)oxypropane-1-sulfonate Traditional Name: 3-(4-keto-3-phenyl-phthalazin-1-yl)oxypropane-1-sulfonate Formula: C17H15N2O5S- MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)OCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)OCCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-17-15-10-5-4-9-14(15)16(24-11-6-12-25(21,22)23)18-19(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,21,22,23)/p-1