(3S,5S)-3,5-bis[(4-propan-2-ylphenyl)methyl]oxane-2,6-dione

Systemtic Name: (3S,5S)-3,5-bis[(4-propan-2-ylphenyl)methyl]oxane-2,6-dione Openeye Name: (3S,5S)-3,5-bis[(4-isopropylphenyl)methyl]tetrahydropyran-2,6-dione CAS Name: (3S,5S)-3,5-bis[(4-propan-2-ylphenyl)methyl]oxane-2,6-dione IUPAC Name: (3S,5S)-3,5-bis[(4-propan-2-ylphenyl)methyl]oxane-2,6-dione Traditional Name: (3S,5S)-3,5-bis(4-isopropylbenzyl)tetrahydropyran-2,6-quinone Formula: C25H30O3 MolecularWeight: 378.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2CC(C(=O)OC2=O)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[C@@H]2C[C@H](C(=O)OC2=O)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H30O3/c1-16(2)20-9-5-18(6-10-20)13-22-15-23(25(27)28-24(22)26)14-19-7-11-21(12-8-19)17(3)4/h5-12,16-17,22-23H,13-15H2,1-4H3/t22-,23-/m1/s1