1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitro-pentyl]benzene

Systemtic Name: 1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitro-pentyl]benzene Openeye Name: 1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitro-pentyl]benzene CAS Name: 1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitropentyl]benzene IUPAC Name: 1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitropentyl]benzene Traditional Name: 1-methoxy-4-[(1S,3S)-1,5,5-trimethoxy-3-nitro-pentyl]benzene Formula: C15H23NO6 MolecularWeight: 313.34622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(CC(OC)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C[C@@H](CC(OC)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C15H23NO6/c1-19-13-7-5-11(6-8-13)14(20-2)9-12(16(17)18)10-15(21-3)22-4/h5-8,12,14-15H,9-10H2,1-4H3/t12-,14-/m0/s1