4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentyl-phthalate

Systemtic Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentyl-phthalate Openeye Name: 4-decyl-3-isopentyl-6-(7-methyloctyl)-5-pentyl-phthalate CAS Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentylphthalate IUPAC Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentylphthalate Traditional Name: 5-amyl-4-decyl-3-isoamyl-6-(7-methyloctyl)phthalate Formula: C37H62O4-2 MolecularWeight: 570.88578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCC)CCCCCCC(C)C)C(=O)[O-])C(=O)[O-])CCC(C)C

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCC)CCCCCCC(C)C)C(=O)[O-])C(=O)[O-])CCC(C)C

InChI

InChI=1S/C37H64O4/c1-7-9-11-12-13-14-15-20-24-31-30(23-18-10-8-2)32(25-21-17-16-19-22-28(3)4)34(36(38)39)35(37(40)41)33(31)27-26-29(5)6/h28-29H,7-27H2,1-6H3,(H,38,39)(H,40,41)/p-2