cyclohexanone; 3,4-dibutylphthalate

Systemtic Name: cyclohexanone; 3,4-dibutylphthalate Openeye Name: cyclohexanone; 3,4-dibutylphthalate CAS Name: cyclohexanone; 3,4-dibutylphthalate IUPAC Name: cyclohexanone; 3,4-dibutylphthalate Traditional Name: cyclohexanone; 3,4-dibutylphthalate Formula: C22H30O5-2 MolecularWeight: 374.4706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC.C1CCC(=O)CC1

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC.C1CCC(=O)CC1

InChI

InChI=1S/C16H22O4.C6H10O/c1-3-5-7-11-9-10-13(15(17)18)14(16(19)20)12(11)8-6-4-2;7-6-4-2-1-3-5-6/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20);1-5H2/p-2