2-butyl-3-heptyl-7-methyl-7-oxidanyl-isoquinoline-6,8-dione

Systemtic Name: 2-butyl-3-heptyl-7-methyl-7-oxidanyl-isoquinoline-6,8-dione Openeye Name: 2-butyl-3-heptyl-7-hydroxy-7-methyl-isoquinoline-6,8-dione CAS Name: 2-butyl-3-heptyl-7-hydroxy-7-methylisoquinoline-6,8-dione IUPAC Name: 2-butyl-3-heptyl-7-hydroxy-7-methylisoquinoline-6,8-dione Traditional Name: 2-butyl-3-heptyl-7-hydroxy-7-methyl-isoquinoline-6,8-quinone Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCC)(C)O

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CCCC)(C)O

InChI

InChI=1S/C21H31NO3/c1-4-6-8-9-10-11-17-13-16-14-19(23)21(3,25)20(24)18(16)15-22(17)12-7-5-2/h13-15,25H,4-12H2,1-3H3