tert-butyl 2,3-bis(oxidanylidene)pent-4-enoate hydrate

Systemtic Name: tert-butyl 2,3-bis(oxidanylidene)pent-4-enoate hydrate Openeye Name: tert-butyl 2,3-dioxopent-4-enoate hydrate CAS Name: 2,3-dioxo-4-pentenoic acid tert-butyl ester hydrate IUPAC Name: tert-butyl 2,3-dioxopent-4-enoate hydrate Traditional Name: 2,3-diketopent-4-enoic acid tert-butyl ester hydrate Formula: C9H14O5 MolecularWeight: 202.20446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(=O)C=C.O

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(=O)C=C.O

InChI

InChI=1S/C9H12O4.H2O/c1-5-6(10)7(11)8(12)13-9(2,3)4;/h5H,1H2,2-4H3;1H2