ethyl 3-(2-methylphenyl)-2,3-bis(oxidanylidene)propanoate hydrate

Systemtic Name: ethyl 3-(2-methylphenyl)-2,3-bis(oxidanylidene)propanoate hydrate Openeye Name: ethyl 3-(o-tolyl)-2,3-dioxo-propanoate hydrate CAS Name: 3-(2-methylphenyl)-2,3-dioxopropanoic acid ethyl ester hydrate IUPAC Name: ethyl 3-(2-methylphenyl)-2,3-dioxopropanoate hydrate Traditional Name: 2,3-diketo-3-(o-tolyl)propionic acid ethyl ester hydrate Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(=O)C1=CC=CC=C1C.O

Isomeric SMILES

CCOC(=O)C(=O)C(=O)C1=CC=CC=C1C.O

InChI

InChI=1S/C12H12O4.H2O/c1-3-16-12(15)11(14)10(13)9-7-5-4-6-8(9)2;/h4-7H,3H2,1-2H3;1H2