(3S,6S)-3-methyl-6-[(E,2R)-6-methyl-2-phenylmethoxy-hept-3-enyl]oxan-2-one

Systemtic Name: (3S,6S)-3-methyl-6-[(E,2R)-6-methyl-2-phenylmethoxy-hept-3-enyl]oxan-2-one Openeye Name: (3S,6S)-6-[(E,2R)-2-benzyloxy-6-methyl-hept-3-enyl]-3-methyl-tetrahydropyran-2-one CAS Name: (3S,6S)-3-methyl-6-[(E,2R)-6-methyl-2-phenylmethoxyhept-3-enyl]-2-oxanone IUPAC Name: (3S,6S)-3-methyl-6-[(E,2R)-6-methyl-2-phenylmethoxyhept-3-enyl]oxan-2-one Traditional Name: (3S,6S)-6-[(E,2R)-2-benzoxy-6-methyl-hept-3-enyl]-3-methyl-tetrahydropyran-2-one Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1=O)CC(C=CCC(C)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC[C@H](OC1=O)C[C@H](/C=C/CC(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30O3/c1-16(2)8-7-11-19(23-15-18-9-5-4-6-10-18)14-20-13-12-17(3)21(22)24-20/h4-7,9-11,16-17,19-20H,8,12-15H2,1-3H3/b11-7+/t17-,19-,20-/m0/s1