1-methoxy-4-[(4Z,6E)-octa-4,6-dien-4-yl]benzene; (4-nitrophenyl) hydrogen carbonate

Systemtic Name: 1-methoxy-4-[(4Z,6E)-octa-4,6-dien-4-yl]benzene; (4-nitrophenyl) hydrogen carbonate Openeye Name: 1-methoxy-4-[(1Z,3E)-1-propylpenta-1,3-dienyl]benzene; (4-nitrophenyl) hydrogen carbonate CAS Name: carbonic acid (4-nitrophenyl) ester; 1-methoxy-4-[(4Z,6E)-octa-4,6-dien-4-yl]benzene IUPAC Name: 1-methoxy-4-[(4Z,6E)-octa-4,6-dien-4-yl]benzene; (4-nitrophenyl) hydrogen carbonate Traditional Name: carbonic acid (4-nitrophenyl) ester; 1-methoxy-4-[(1Z,3E)-1-propylpenta-1,3-dienyl]benzene Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C(=C/C=C/C)/C1=CC=C(C=C1)OC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)O

InChI

InChI=1S/C15H20O.C7H5NO5/c1-4-6-8-13(7-5-2)14-9-11-15(16-3)12-10-14;9-7(10)13-6-3-1-5(2-4-6)8(11)12/h4,6,8-12H,5,7H2,1-3H3;1-4H,(H,9,10)/b6-4+,13-8-;