4-[(4S,5R)-5-methyl-4-oxidanyl-hept-6-en-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[(4S,5R)-5-methyl-4-oxidanyl-hept-6-en-1-ynyl]benzenecarbonitrile Openeye Name: 4-[(4S,5R)-4-hydroxy-5-methyl-hept-6-en-1-ynyl]benzonitrile CAS Name: 4-[(4S,5R)-4-hydroxy-5-methylhept-6-en-1-ynyl]benzonitrile IUPAC Name: 4-[(4S,5R)-4-hydroxy-5-methylhept-6-en-1-ynyl]benzonitrile Traditional Name: 4-[(4S,5R)-4-hydroxy-5-methyl-hept-6-en-1-ynyl]benzonitrile Formula: C15H15NO MolecularWeight: 225.2857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(CC#CC1=CC=C(C=C1)C#N)O

Isomeric SMILES

C[C@H](C=C)[C@H](CC#CC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C15H15NO/c1-3-12(2)15(17)6-4-5-13-7-9-14(11-16)10-8-13/h3,7-10,12,15,17H,1,6H2,2H3/t12-,15+/m1/s1