(6S)-3-methyl-6-nonyl-6-phenyl-oxan-2-one

Systemtic Name: (6S)-3-methyl-6-nonyl-6-phenyl-oxan-2-one Openeye Name: (6S)-3-methyl-6-nonyl-6-phenyl-tetrahydropyran-2-one CAS Name: (6S)-3-methyl-6-nonyl-6-phenyl-2-oxanone IUPAC Name: (6S)-3-methyl-6-nonyl-6-phenyloxan-2-one Traditional Name: (6S)-3-methyl-6-nonyl-6-phenyl-tetrahydropyran-2-one Formula: C21H32O2 MolecularWeight: 316.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(C(=O)O1)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC[C@]1(CCC(C(=O)O1)C)C2=CC=CC=C2

InChI

InChI=1S/C21H32O2/c1-3-4-5-6-7-8-12-16-21(19-13-10-9-11-14-19)17-15-18(2)20(22)23-21/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3/t18?,21-/m0/s1