(2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane

Systemtic Name: (2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane Openeye Name: (2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane CAS Name: (2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane IUPAC Name: (2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane Traditional Name: (2S,3R)-3-[(E)-hex-1-enyl]-2-(4-nitrophenyl)oxepane Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1CCCCOC1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC/C=C/[C@H]1CCCCO[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25NO3/c1-2-3-4-5-8-15-9-6-7-14-22-18(15)16-10-12-17(13-11-16)19(20)21/h5,8,10-13,15,18H,2-4,6-7,9,14H2,1H3/b8-5+/t15-,18-/m0/s1