3,7-dimethyl-7-oxidanyl-octanal; 3-methyl-1H-indole

Systemtic Name: 3,7-dimethyl-7-oxidanyl-octanal; 3-methyl-1H-indole Openeye Name: 7-hydroxy-3,7-dimethyl-octanal; 3-methyl-1H-indole CAS Name: 7-hydroxy-3,7-dimethyloctanal; 3-methyl-1H-indole IUPAC Name: 7-hydroxy-3,7-dimethyloctanal; 3-methyl-1H-indole Traditional Name: 7-hydroxy-3,7-dimethyl-caprylaldehyde; skatole Formula: C19H29NO2 MolecularWeight: 303.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=CC=CC=C12.CC(CCCC(C)(C)O)CC=O

Isomeric SMILES

CC1=CNC2=CC=CC=C12.CC(CCCC(C)(C)O)CC=O

InChI

InChI=1S/C10H20O2.C9H9N/c1-9(6-8-11)5-4-7-10(2,3)12;1-7-6-10-9-5-3-2-4-8(7)9/h8-9,12H,4-7H2,1-3H3;2-6,10H,1H3