(4S,6aR)-3,5,5-trimethyl-4-phenylmethoxy-1,4,6,6a-tetrahydropentalen-2-one

Systemtic Name: (4S,6aR)-3,5,5-trimethyl-4-phenylmethoxy-1,4,6,6a-tetrahydropentalen-2-one Openeye Name: (4S,6aR)-4-benzyloxy-3,5,5-trimethyl-1,4,6,6a-tetrahydropentalen-2-one CAS Name: (4S,6aR)-3,5,5-trimethyl-4-phenylmethoxy-1,4,6,6a-tetrahydropentalen-2-one IUPAC Name: (4S,6aR)-3,5,5-trimethyl-4-phenylmethoxy-1,4,6,6a-tetrahydropentalen-2-one Traditional Name: (4S,6aR)-4-benzoxy-3,5,5-trimethyl-1,4,6,6a-tetrahydropentalen-2-one Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC1=O)CC(C2OCC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=C2[C@@H](CC1=O)CC([C@@H]2OCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C18H22O2/c1-12-15(19)9-14-10-18(2,3)17(16(12)14)20-11-13-7-5-4-6-8-13/h4-8,14,17H,9-11H2,1-3H3/t14-,17+/m0/s1