4-methyl-5-[(2S)-7-oxidanyl-2-prop-1-en-2-yl-hept-5-ynyl]furan-2-carbaldehyde

Systemtic Name: 4-methyl-5-[(2S)-7-oxidanyl-2-prop-1-en-2-yl-hept-5-ynyl]furan-2-carbaldehyde Openeye Name: 5-[(2S)-7-hydroxy-2-isopropenyl-hept-5-ynyl]-4-methyl-furan-2-carbaldehyde CAS Name: 5-[(2S)-7-hydroxy-2-(1-methylethenyl)hept-5-ynyl]-4-methyl-2-furancarboxaldehyde IUPAC Name: 5-[(2S)-7-hydroxy-2-prop-1-en-2-ylhept-5-ynyl]-4-methylfuran-2-carbaldehyde Traditional Name: 5-[(2S)-7-hydroxy-2-isopropenyl-hept-5-ynyl]-4-methyl-furfural Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C=O)CC(CCC#CCO)C(=C)C

Isomeric SMILES

CC1=C(OC(=C1)C=O)C[C@H](CCC#CCO)C(=C)C

InChI

InChI=1S/C16H20O3/c1-12(2)14(7-5-4-6-8-17)10-16-13(3)9-15(11-18)19-16/h9,11,14,17H,1,5,7-8,10H2,2-3H3/t14-/m0/s1