2-(3-oxidanylpropyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-oxidanylpropyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4H-isoquinoline-1,3-quinone Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCCO

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCCO

InChI

InChI=1S/C12H13NO3/c14-7-3-6-13-11(15)8-9-4-1-2-5-10(9)12(13)16/h1-2,4-5,14H,3,6-8H2