3-(2-methyl-2-oxidanyl-hept-3-ynyl)inden-1-one

Systemtic Name: 3-(2-methyl-2-oxidanyl-hept-3-ynyl)inden-1-one Openeye Name: 3-(2-hydroxy-2-methyl-hept-3-ynyl)inden-1-one CAS Name: 3-(2-hydroxy-2-methylhept-3-ynyl)-1-indenone IUPAC Name: 3-(2-hydroxy-2-methylhept-3-ynyl)inden-1-one Traditional Name: 3-(2-hydroxy-2-methyl-hept-3-ynyl)inden-1-one Formula: C17H18O2 MolecularWeight: 254.32362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(C)(CC1=CC(=O)C2=CC=CC=C21)O

Isomeric SMILES

CCCC#CC(C)(CC1=CC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C17H18O2/c1-3-4-7-10-17(2,19)12-13-11-16(18)15-9-6-5-8-14(13)15/h5-6,8-9,11,19H,3-4,12H2,1-2H3