1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene

Systemtic Name: 1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene Openeye Name: 1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene CAS Name: 1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene IUPAC Name: 1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene Traditional Name: 1-isocyano-4-[4-(2-methylheptyl)phenyl]benzene Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)[N+]#[C-]

Isomeric SMILES

CCCCCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)[N+]#[C-]

InChI

InChI=1S/C21H25N/c1-4-5-6-7-17(2)16-18-8-10-19(11-9-18)20-12-14-21(22-3)15-13-20/h8-15,17H,4-7,16H2,1-2H3