ethanoic acid; 1-heptan-2-yl-2-methyl-benzene

Systemtic Name: ethanoic acid; 1-heptan-2-yl-2-methyl-benzene Openeye Name: acetic acid; 1-methyl-2-(1-methylhexyl)benzene CAS Name: acetic acid; 1-heptan-2-yl-2-methylbenzene IUPAC Name: acetic acid; 1-heptan-2-yl-2-methylbenzene Traditional Name: acetic acid; 1-methyl-2-(1-methylhexyl)benzene Formula: C16H26O2 MolecularWeight: 250.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1C.CC(=O)O

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1C.CC(=O)O

InChI

InChI=1S/C14H22.C2H4O2/c1-4-5-6-9-12(2)14-11-8-7-10-13(14)3;1-2(3)4/h7-8,10-12H,4-6,9H2,1-3H3;1H3,(H,3,4)