2-ethyl-4-methyl-hexanoic acid; 2-fluoren-9-ylidenepropanedinitrile

Systemtic Name: 2-ethyl-4-methyl-hexanoic acid; 2-fluoren-9-ylidenepropanedinitrile Openeye Name: 2-ethyl-4-methyl-hexanoic acid; 2-fluoren-9-ylidenepropanedinitrile CAS Name: 2-ethyl-4-methylhexanoic acid; 2-(9-fluorenylidene)propanedinitrile IUPAC Name: 2-ethyl-4-methylhexanoic acid; 2-fluoren-9-ylidenepropanedinitrile Traditional Name: 2-ethyl-4-methyl-hexanoic acid; 2-fluoren-9-ylidenemalononitrile Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3C2=C(C#N)C#N

Isomeric SMILES

CCC(C)CC(CC)C(=O)O.C1=CC=C2C(=C1)C3=CC=CC=C3C2=C(C#N)C#N

InChI

InChI=1S/C16H8N2.C9H18O2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-4-7(3)6-8(5-2)9(10)11/h1-8H;7-8H,4-6H2,1-3H3,(H,10,11)