chloranylbenzene; ethyl 2-[2,4-bis(oxidanylidene)-3-sulfonyl-quinazolin-3-ium-1-yl]ethanoate

Systemtic Name: chloranylbenzene; ethyl 2-[2,4-bis(oxidanylidene)-3-sulfonyl-quinazolin-3-ium-1-yl]ethanoate Openeye Name: chlorobenzene; ethyl 2-(2,4-dioxo-3-sulfonyl-quinazolin-3-ium-1-yl)acetate CAS Name: chlorobenzene; 2-(2,4-dioxo-3-sulfonyl-1-quinazolin-3-iumyl)acetic acid ethyl ester IUPAC Name: chlorobenzene; ethyl 2-(2,4-dioxo-3-sulfonylquinazolin-3-ium-1-yl)acetate Traditional Name: chlorobenzene; 2-(2,4-diketo-3-sulfonyl-quinazolin-3-ium-1-yl)acetic acid ethyl ester Formula: C18H16ClN2O6S+ MolecularWeight: 423.84744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=O)[N+](=S(=O)=O)C1=O.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=O)[N+](=S(=O)=O)C1=O.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H11N2O6S.C6H5Cl/c1-2-20-10(15)7-13-9-6-4-3-5-8(9)11(16)14(12(13)17)21(18)19;7-6-4-2-1-3-5-6/h3-6H,2,7H2,1H3;1-5H/q+1;