(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolane-3-carbaldehyde

Systemtic Name: (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolane-3-carbaldehyde Openeye Name: (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-tetrahydrofuran-3-carbaldehyde CAS Name: (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-oxolanecarboxaldehyde IUPAC Name: (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxooxolane-3-carbaldehyde Traditional Name: (3S,4S)-5-keto-4-piperonyl-tetrahydrofuran-3-carbaldehyde Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)C=O

Isomeric SMILES

C1[C@H]([C@@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)C=O

InChI

InChI=1S/C13H12O5/c14-5-9-6-16-13(15)10(9)3-8-1-2-11-12(4-8)18-7-17-11/h1-2,4-5,9-10H,3,6-7H2/t9-,10+/m1/s1