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

Systemtic Name: 2-(1,2-dideuterio-3-oxidanyl-propyl)-3-(hydroxymethyl)-5-methoxy-1-methyl-indole-4,7-dione Openeye Name: 2-(1,2-dideuterio-3-hydroxy-propyl)-3-(hydroxymethyl)-5-methoxy-1-methyl-indole-4,7-dione CAS Name: 2-(1,2-dideuterio-3-hydroxypropyl)-3-(hydroxymethyl)-5-methoxy-1-methylindole-4,7-dione IUPAC Name: 2-(1,2-dideuterio-3-hydroxypropyl)-3-(hydroxymethyl)-5-methoxy-1-methylindole-4,7-dione Traditional Name: 2-(1,2-dideuterio-3-hydroxy-propyl)-5-methoxy-1-methyl-3-methylol-indole-4,7-quinone Formula: C14H17NO5 MolecularWeight: 281.300804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C=C(C2=O)OC)CO)CCCO

Isomeric SMILES

[2H]C(CO)C([2H])C1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)CO

InChI

InChI=1S/C14H17NO5/c1-15-9(4-3-5-16)8(7-17)12-13(15)10(18)6-11(20-2)14(12)19/h6,16-17H,3-5,7H2,1-2H3/i3D,4D