3,4-dioctylphthalate; methylbenzene

Systemtic Name: 3,4-dioctylphthalate; methylbenzene Openeye Name: 3,4-dioctylphthalate; toluene CAS Name: 3,4-dioctylphthalate; toluene IUPAC Name: 3,4-dioctylphthalate; toluene Traditional Name: 3,4-dioctylphthalate; toluene Formula: C31H44O4-2 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC.CC1=CC=CC=C1

InChI

InChI=1S/C24H38O4.C7H8/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;1-7-5-3-2-4-6-7/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28);2-6H,1H3/p-2