(3aR,6R,7aS)-3-iodanyl-6-methyl-3a-(3-phenylmethoxypropyl)-5,6,7,7a-tetrahydro-1H-inden-4-one

Systemtic Name: (3aR,6R,7aS)-3-iodanyl-6-methyl-3a-(3-phenylmethoxypropyl)-5,6,7,7a-tetrahydro-1H-inden-4-one Openeye Name: (3aR,6R,7aS)-3a-(3-benzyloxypropyl)-3-iodo-6-methyl-5,6,7,7a-tetrahydro-1H-inden-4-one CAS Name: (3aR,6R,7aS)-3-iodo-6-methyl-3a-(3-phenylmethoxypropyl)-5,6,7,7a-tetrahydro-1H-inden-4-one IUPAC Name: (3aR,6R,7aS)-3-iodo-6-methyl-3a-(3-phenylmethoxypropyl)-5,6,7,7a-tetrahydro-1H-inden-4-one Traditional Name: (3aR,6R,7aS)-3a-(3-benzoxypropyl)-3-iodo-6-methyl-5,6,7,7a-tetrahydro-1H-inden-4-one Formula: C20H25IO2 MolecularWeight: 424.31577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CC=C(C2(C(=O)C1)CCCOCC3=CC=CC=C3)I

Isomeric SMILES

C[C@@H]1C[C@H]2CC=C([C@]2(C(=O)C1)CCCOCC3=CC=CC=C3)I

InChI

InChI=1S/C20H25IO2/c1-15-12-17-8-9-18(21)20(17,19(22)13-15)10-5-11-23-14-16-6-3-2-4-7-16/h2-4,6-7,9,15,17H,5,8,10-14H2,1H3/t15-,17-,20+/m1/s1