(E)-3-(4-hexadecoxy-3-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-hexadecoxy-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-hexadecoxy-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(4-hexadecoxy-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-hexadecoxy-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-cetyloxy-3-nitro-phenyl)acrylic acid Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-16-22(17-19-25(27)28)21-23(24)26(29)30/h16-19,21H,2-15,20H2,1H3,(H,27,28)/b19-17+