3-methyl-2-[(E)-pent-3-enyl]octanoate dihydrate

Systemtic Name: 3-methyl-2-[(E)-pent-3-enyl]octanoate dihydrate Openeye Name: 3-methyl-2-[(E)-pent-3-enyl]octanoate dihydrate CAS Name: 3-methyl-2-[(E)-pent-3-enyl]octanoate dihydrate IUPAC Name: 3-methyl-2-[(E)-pent-3-enyl]octanoate dihydrate Traditional Name: (E)-2-(1-methylhexyl)hept-5-enoate dihydrate Formula: C14H29O4- MolecularWeight: 261.37766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(CCC=CC)C(=O)[O-].O.O

Isomeric SMILES

CCCCCC(C)C(CC/C=C/C)C(=O)[O-].O.O

InChI

InChI=1S/C14H26O2.2H2O/c1-4-6-8-10-12(3)13(14(15)16)11-9-7-5-2;;/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,15,16);2*1H2/p-1/b7-5+;;