3,4-dioctylphthalate; 3-(3-methylbutyl)phthalate

Systemtic Name: 3,4-dioctylphthalate; 3-(3-methylbutyl)phthalate Openeye Name: 3,4-dioctylphthalate; 3-isopentylphthalate CAS Name: 3,4-dioctylphthalate; 3-(3-methylbutyl)phthalate IUPAC Name: 3,4-dioctylphthalate; 3-(3-methylbutyl)phthalate Traditional Name: 3,4-dioctylphthalate; 3-isoamylphthalate Formula: C37H50O8-4 MolecularWeight: 622.7881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CC(C)CCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CC(C)CCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H38O4.C13H16O4/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;1-8(2)6-7-9-4-3-5-10(12(14)15)11(9)13(16)17/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)/p-4