(3-nitrophenyl) 2-[1-(2,3-dimethylphenyl)decyl]oxirane-2-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[1-(2,3-dimethylphenyl)decyl]oxirane-2-carboxylate Openeye Name: (3-nitrophenyl) 2-[1-(2,3-dimethylphenyl)decyl]oxirane-2-carboxylate CAS Name: 2-[1-(2,3-dimethylphenyl)decyl]-2-oxiranecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[1-(2,3-dimethylphenyl)decyl]oxirane-2-carboxylate Traditional Name: 2-[1-(2,3-dimethylphenyl)decyl]oxirane-2-carboxylic acid (3-nitrophenyl) ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=CC=CC(=C1C)C)C2(CO2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(C1=CC=CC(=C1C)C)C2(CO2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H35NO5/c1-4-5-6-7-8-9-10-17-25(24-16-11-13-20(2)21(24)3)27(19-32-27)26(29)33-23-15-12-14-22(18-23)28(30)31/h11-16,18,25H,4-10,17,19H2,1-3H3