(4S)-2-[3-nitro-5-[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzene-4-id-1-yl]-4-(phenylmethyl)-4,5-dihydro-1,3-oxazole; rhodium(3+); diethanoate; hydrate

Systemtic Name: (4S)-2-[3-nitro-5-[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzene-4-id-1-yl]-4-(phenylmethyl)-4,5-dihydro-1,3-oxazole; rhodium(3+); diethanoate; hydrate Openeye Name: (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydrooxazol-2-yl]-5-nitro-benzene-4-id-1-yl]-4,5-dihydrooxazole; rhodium(3+); diacetate; hydrate CAS Name: (4S)-2-[3-nitro-5-[(4S)-4-(phenylmethyl)-4,5-dihydrooxazol-2-yl]-1-benzene-4-idyl]-4-(phenylmethyl)-4,5-dihydrooxazole; rhodium(3+); diacetate; hydrate IUPAC Name: (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrobenzene-4-id-1-yl]-4,5-dihydro-1,3-oxazole; rhodium(3+); diacetate; hydrate Traditional Name: (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-2-oxazolin-2-yl]-5-nitro-benzene-4-id-1-yl]-2-oxazoline; rhodium(3+); diacetate; hydrate Formula: C30H30N3O9Rh MolecularWeight: 679.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1C(N=C(O1)C2=CC(=[C-]C(=C2)[N+](=O)[O-])C3=NC(CO3)CC4=CC=CC=C4)CC5=CC=CC=C5.O.[Rh+3]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1[C@@H](N=C(O1)C2=CC(=[C-]C(=C2)[N+](=O)[O-])C3=N[C@H](CO3)CC4=CC=CC=C4)CC5=CC=CC=C5.O.[Rh+3]

InChI

InChI=1S/C26H22N3O4.2C2H4O2.H2O.Rh/c30-29(31)24-14-20(25-27-22(16-32-25)11-18-7-3-1-4-8-18)13-21(15-24)26-28-23(17-33-26)12-19-9-5-2-6-10-19;2*1-2(3)4;;/h1-10,13-14,22-23H,11-12,16-17H2;2*1H3,(H,3,4);1H2;/q-1;;;;+3/p-2/t22-,23-;;;;/m0..../s1