3,4,5-tris(11-methyldodecyl)phthalate

Systemtic Name: 3,4,5-tris(11-methyldodecyl)phthalate Openeye Name: 3,4,5-tris(11-methyldodecyl)phthalate CAS Name: 3,4,5-tris(11-methyldodecyl)phthalate IUPAC Name: 3,4,5-tris(11-methyldodecyl)phthalate Traditional Name: 3,4,5-tris(11-methyldodecyl)phthalate Formula: C47H82O4-2 MolecularWeight: 711.15158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C

InChI

InChI=1S/C47H84O4/c1-38(2)31-25-19-13-7-10-16-22-28-34-41-37-44(46(48)49)45(47(50)51)43(36-30-24-18-12-9-15-21-27-33-40(5)6)42(41)35-29-23-17-11-8-14-20-26-32-39(3)4/h37-40H,7-36H2,1-6H3,(H,48,49)(H,50,51)/p-2