1-methyl-3-oxidanyl-3-(2-oxidanylidenepropyl)indol-2-one hydrate

Systemtic Name: 1-methyl-3-oxidanyl-3-(2-oxidanylidenepropyl)indol-2-one hydrate Openeye Name: 3-acetonyl-3-hydroxy-1-methyl-indolin-2-one hydrate CAS Name: 3-hydroxy-1-methyl-3-(2-oxopropyl)-2-indolone hydrate IUPAC Name: 3-hydroxy-1-methyl-3-(2-oxopropyl)indol-2-one hydrate Traditional Name: 3-acetonyl-3-hydroxy-1-methyl-oxindole hydrate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=CC=CC=C2N(C1=O)C)O.O

Isomeric SMILES

CC(=O)CC1(C2=CC=CC=C2N(C1=O)C)O.O

InChI

InChI=1S/C12H13NO3.H2O/c1-8(14)7-12(16)9-5-3-4-6-10(9)13(2)11(12)15;/h3-6,16H,7H2,1-2H3;1H2