3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitro-phenyl]oxirane-2-carbaldehyde

Systemtic Name: 3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitro-phenyl]oxirane-2-carbaldehyde Openeye Name: 3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitro-phenyl]oxirane-2-carbaldehyde CAS Name: 3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitrophenyl]-2-oxiranecarboxaldehyde IUPAC Name: 3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitrophenyl]oxirane-2-carbaldehyde Traditional Name: 3-[2-[10-(2,4-dimethylphenyl)decyl]-3-nitro-phenyl]oxirane-2-carbaldehyde Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCCCCCC2=C(C=CC=C2[N+](=O)[O-])C3C(O3)C=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCCCCCC2=C(C=CC=C2[N+](=O)[O-])C3C(O3)C=O)C

InChI

InChI=1S/C27H35NO4/c1-20-16-17-22(21(2)18-20)12-9-7-5-3-4-6-8-10-13-23-24(27-26(19-29)32-27)14-11-15-25(23)28(30)31/h11,14-19,26-27H,3-10,12-13H2,1-2H3