(Z)-5-methyl-2,3-dinitro-4-phenyl-undec-2-enoic acid

Systemtic Name: (Z)-5-methyl-2,3-dinitro-4-phenyl-undec-2-enoic acid Openeye Name: (Z)-5-methyl-2,3-dinitro-4-phenyl-undec-2-enoic acid CAS Name: (Z)-5-methyl-2,3-dinitro-4-phenyl-2-undecenoic acid IUPAC Name: (Z)-5-methyl-2,3-dinitro-4-phenylundec-2-enoic acid Traditional Name: (Z)-5-methyl-2,3-dinitro-4-phenyl-undec-2-enoic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C)C(C1=CC=CC=C1)/C(=C(\C(=O)O)/[N+](=O)[O-])/[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-3-4-5-7-10-13(2)15(14-11-8-6-9-12-14)16(19(23)24)17(18(21)22)20(25)26/h6,8-9,11-13,15H,3-5,7,10H2,1-2H3,(H,21,22)/b17-16-