(3E)-2-methylhexa-1,3-diene hydrate

Systemtic Name: (3E)-2-methylhexa-1,3-diene hydrate Openeye Name: (3E)-2-methylhexa-1,3-diene hydrate CAS Name: (3E)-2-methylhexa-1,3-diene hydrate IUPAC Name: (3E)-2-methylhexa-1,3-diene hydrate Traditional Name: (3E)-2-methylhexa-1,3-diene hydrate Formula: C14H26O MolecularWeight: 210.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=C)C.CCC=CC(=C)C.O

Isomeric SMILES

CC/C=C/C(=C)C.CC/C=C/C(=C)C.O

InChI

InChI=1S/2C7H12.H2O/c2*1-4-5-6-7(2)3;/h2*5-6H,2,4H2,1,3H3;1H2/b2*6-5+;