phenyl 2-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]ethanesulfonate

Systemtic Name: phenyl 2-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]ethanesulfonate Openeye Name: phenyl 2-(6,8-dichloro-4-oxo-quinazolin-3-yl)ethanesulfonate CAS Name: 2-(6,8-dichloro-4-oxo-3-quinazolinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethanesulfonate Traditional Name: 2-(6,8-dichloro-4-keto-quinazolin-3-yl)ethanesulfonic acid phenyl ester Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O4S/c17-11-8-13-15(14(18)9-11)19-10-20(16(13)21)6-7-25(22,23)24-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2