4-(3-oxidanylhex-5-en-3-yl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-oxidanylhex-5-en-3-yl)-4H-isoquinoline-1,3-dione Openeye Name: 4-(1-ethyl-1-hydroxy-but-3-enyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(3-hydroxyhex-5-en-3-yl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-hydroxyhex-5-en-3-yl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(1-ethyl-1-hydroxy-but-3-enyl)-4H-isoquinoline-1,3-quinone Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C)(C1C2=CC=CC=C2C(=O)NC1=O)O

Isomeric SMILES

CCC(CC=C)(C1C2=CC=CC=C2C(=O)NC1=O)O

InChI

InChI=1S/C15H17NO3/c1-3-9-15(19,4-2)12-10-7-5-6-8-11(10)13(17)16-14(12)18/h3,5-8,12,19H,1,4,9H2,2H3,(H,16,17,18)