2-phenyloxirane-2-carbaldehyde hydrate

Systemtic Name: 2-phenyloxirane-2-carbaldehyde hydrate Openeye Name: 2-phenyloxirane-2-carbaldehyde hydrate CAS Name: 2-phenyl-2-oxiranecarboxaldehyde hydrate IUPAC Name: 2-phenyloxirane-2-carbaldehyde hydrate Traditional Name: 2-phenyloxirane-2-carbaldehyde hydrate Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(C=O)C2=CC=CC=C2.C1C(O1)(C=O)C2=CC=CC=C2.O

Isomeric SMILES

C1C(O1)(C=O)C2=CC=CC=C2.C1C(O1)(C=O)C2=CC=CC=C2.O

InChI

InChI=1S/2C9H8O2.H2O/c2*10-6-9(7-11-9)8-4-2-1-3-5-8;/h2*1-6H,7H2;1H2