3,4-dioctylphthalate; ethyl ethanoate

Systemtic Name: 3,4-dioctylphthalate; ethyl ethanoate Openeye Name: 3,4-dioctylphthalate; ethyl acetate CAS Name: acetic acid ethyl ester; 3,4-dioctylphthalate IUPAC Name: 3,4-dioctylphthalate; ethyl acetate Traditional Name: acetic acid ethyl ester; 3,4-dioctylphthalate Formula: C28H44O6-2 MolecularWeight: 476.64536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCOC(=O)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CCOC(=O)C

InChI

InChI=1S/C24H38O4.C4H8O2/c1-3-5-7-9-11-13-15-19-17-18-21(23(25)26)22(24(27)28)20(19)16-14-12-10-8-6-4-2;1-3-6-4(2)5/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);3H2,1-2H3/p-2