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

Systemtic Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentyl-phthalic acid Openeye Name: 4-decyl-3-isopentyl-6-(7-methyloctyl)-5-pentyl-phthalic acid CAS Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentylphthalic acid IUPAC Name: 4-decyl-3-(3-methylbutyl)-6-(7-methyloctyl)-5-pentylphthalic acid Traditional Name: 5-amyl-4-decyl-3-isoamyl-6-(7-methyloctyl)phthalic acid Formula: C37H64O4 MolecularWeight: 572.90166

Click to see the large picture

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)