1-methyl-3-nonyl-benzene; 4-(oxiran-2-yl)butanoic acid

Systemtic Name: 1-methyl-3-nonyl-benzene; 4-(oxiran-2-yl)butanoic acid Openeye Name: 1-methyl-3-nonyl-benzene; 4-(oxiran-2-yl)butanoic acid CAS Name: 1-methyl-3-nonylbenzene; 4-(2-oxiranyl)butanoic acid IUPAC Name: 1-methyl-3-nonylbenzene; 4-(oxiran-2-yl)butanoic acid Traditional Name: 1-methyl-3-nonyl-benzene; 4-(oxiran-2-yl)butyric acid Formula: C22H36O3 MolecularWeight: 348.51944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC(=C1)C.C1C(O1)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC(=C1)C.C1C(O1)CCCC(=O)O

InChI

InChI=1S/C16H26.C6H10O3/c1-3-4-5-6-7-8-9-12-16-13-10-11-15(2)14-16;7-6(8)3-1-2-5-4-9-5/h10-11,13-14H,3-9,12H2,1-2H3;5H,1-4H2,(H,7,8)