(E,4R)-2,2-dimethyl-4-[(R)-oxidanyl(phenyl)methyl]dodec-6-en-3-one

Systemtic Name: (E,4R)-2,2-dimethyl-4-[(R)-oxidanyl(phenyl)methyl]dodec-6-en-3-one Openeye Name: (E,4R)-4-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-dodec-6-en-3-one CAS Name: (E,4R)-4-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-6-dodecen-3-one IUPAC Name: (E,4R)-4-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyldodec-6-en-3-one Traditional Name: (E,4R)-4-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-dodec-6-en-3-one Formula: C21H32O2 MolecularWeight: 316.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C(C1=CC=CC=C1)O)C(=O)C(C)(C)C

Isomeric SMILES

CCCCC/C=C/C[C@H]([C@H](C1=CC=CC=C1)O)C(=O)C(C)(C)C

InChI

InChI=1S/C21H32O2/c1-5-6-7-8-9-13-16-18(20(23)21(2,3)4)19(22)17-14-11-10-12-15-17/h9-15,18-19,22H,5-8,16H2,1-4H3/b13-9+/t18-,19+/m1/s1