(3-nitrophenyl) 2-[10-(2,4-dimethylphenyl)decyl]oxirane-2-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[10-(2,4-dimethylphenyl)decyl]oxirane-2-carboxylate Openeye Name: (3-nitrophenyl) 2-[10-(2,4-dimethylphenyl)decyl]oxirane-2-carboxylate CAS Name: 2-[10-(2,4-dimethylphenyl)decyl]-2-oxiranecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[10-(2,4-dimethylphenyl)decyl]oxirane-2-carboxylate Traditional Name: 2-[10-(2,4-dimethylphenyl)decyl]oxirane-2-carboxylic acid (3-nitrophenyl) ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCCCCCC2(CO2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCCCCCC2(CO2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C

InChI

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