3-(deuteriomethyl)-2-(1,2-dideuterio-3-oxidanyl-propyl)-5-methoxy-1-methyl-indole-4,7-dione

Systemtic Name: 3-(deuteriomethyl)-2-(1,2-dideuterio-3-oxidanyl-propyl)-5-methoxy-1-methyl-indole-4,7-dione Openeye Name: 3-(deuteriomethyl)-2-(1,2-dideuterio-3-hydroxy-propyl)-5-methoxy-1-methyl-indole-4,7-dione CAS Name: 3-(deuteriomethyl)-2-(1,2-dideuterio-3-hydroxypropyl)-5-methoxy-1-methylindole-4,7-dione IUPAC Name: 3-(deuteriomethyl)-2-(1,2-dideuterio-3-hydroxypropyl)-5-methoxy-1-methylindole-4,7-dione Traditional Name: 3-(deuteriomethyl)-2-(1,2-dideuterio-3-hydroxy-propyl)-5-methoxy-1-methyl-indole-4,7-quinone Formula: C14H17NO4 MolecularWeight: 266.307565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=O)C(=CC2=O)OC)C)CCCO

Isomeric SMILES

[2H]CC1=C(N(C2=C1C(=O)C(=CC2=O)OC)C)C([2H])C([2H])CO

InChI

InChI=1S/C14H17NO4/c1-8-9(5-4-6-16)15(2)13-10(17)7-11(19-3)14(18)12(8)13/h7,16H,4-6H2,1-3H3/i1D,4D,5D