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2-(2,15-dimethylhexadecan-8-yloxycarbonyl)terephthalic acid

2-(2,15-dimethylhexadecan-8-yloxycarbonyl)terephthalic acid

Systemtic Name:2-(2,15-dimethylhexadecan-8-yloxycarbonyl)terephthalic acid
Openeye Name:2-[8-methyl-1-(6-methylheptyl)nonoxy]carbonylterephthalic acid
CAS Name:2-[2,15-dimethylhexadecan-8-yloxy(oxo)methyl]terephthalic acid
IUPAC Name:2-(2,15-dimethylhexadecan-8-yloxycarbonyl)terephthalic acid
Traditional Name:2-[8-methyl-1-(6-methylheptyl)nonoxy]carbonylterephthalic acid
Formula: C27H42O6
MolecularWeight: 462.61878
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC(CCCCCC(C)C)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CC(C)CCCCCCC(CCCCCC(C)C)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C27H42O6/c1-19(2)12-8-5-6-10-14-22(15-11-7-9-13-20(3)4)33-27(32)24-18-21(25(28)29)16-17-23(24)26(30)31/h16-20,22H,5-15H2,1-4H3,(H,28,29)(H,30,31)


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