(3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one

Systemtic Name: (3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one Openeye Name: (3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one CAS Name: (3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one IUPAC Name: (3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one Traditional Name: (3aS,6aS)-4-[(5S)-5-methoxyheptyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one Formula: C16H28O2 MolecularWeight: 252.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC1CCC2C1CC(=O)C2)OC

Isomeric SMILES

CC[C@@H](CCCCC1CC[C@@H]2[C@H]1CC(=O)C2)OC

InChI

InChI=1S/C16H28O2/c1-3-15(18-2)7-5-4-6-12-8-9-13-10-14(17)11-16(12)13/h12-13,15-16H,3-11H2,1-2H3/t12?,13-,15-,16-/m0/s1