1-(4-oxidanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate CAS Name: 1-(4-oxo-1H-quinazolin-2-yl)-1-heptadecanesulfonate IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate Traditional Name: 1-(4-keto-1H-quinazolin-2-yl)heptadecane-1-sulfonate Formula: C25H39N2O4S- MolecularWeight: 463.65316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H40N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(32(29,30)31)24-26-22-19-17-16-18-21(22)25(28)27-24/h16-19,23H,2-15,20H2,1H3,(H,26,27,28)(H,29,30,31)/p-1