(3S,5R)-4-ethanoyl-3,5-bis(4-nitrophenyl)cyclohexan-1-one

Systemtic Name: (3S,5R)-4-ethanoyl-3,5-bis(4-nitrophenyl)cyclohexan-1-one Openeye Name: (3S,5R)-4-acetyl-3,5-bis(4-nitrophenyl)cyclohexanone CAS Name: (3S,5R)-4-acetyl-3,5-bis(4-nitrophenyl)-1-cyclohexanone IUPAC Name: (3S,5R)-4-acetyl-3,5-bis(4-nitrophenyl)cyclohexan-1-one Traditional Name: (3S,5R)-4-acetyl-3,5-bis(4-nitrophenyl)cyclohexanone Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC(=O)CC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1[C@@H](CC(=O)C[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12(23)20-18(13-2-6-15(7-3-13)21(25)26)10-17(24)11-19(20)14-4-8-16(9-5-14)22(27)28/h2-9,18-20H,10-11H2,1H3/t18-,19+,20?