2-[(3S,4S)-4-oxidanylhexa-1,5-dien-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S,4S)-4-oxidanylhexa-1,5-dien-3-yl]isoindole-1,3-dione Openeye Name: 2-[(1S,2S)-2-hydroxy-1-vinyl-but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(3S,4S)-4-hydroxyhexa-1,5-dien-3-yl]isoindole-1,3-dione IUPAC Name: 2-[(3S,4S)-4-hydroxyhexa-1,5-dien-3-yl]isoindole-1,3-dione Traditional Name: 2-[(1S,2S)-2-hydroxy-1-vinyl-but-3-enyl]isoindoline-1,3-quinone Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C=C)O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C=C[C@@H]([C@H](C=C)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO3/c1-3-11(12(16)4-2)15-13(17)9-7-5-6-8-10(9)14(15)18/h3-8,11-12,16H,1-2H2/t11-,12-/m0/s1