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2-octadecan-9-yloxycarbonylterephthalic acid

2-octadecan-9-yloxycarbonylterephthalic acid

Systemtic Name:2-octadecan-9-yloxycarbonylterephthalic acid
Openeye Name:2-(1-octyldecoxycarbonyl)terephthalic acid
CAS Name:2-[octadecan-9-yloxy(oxo)methyl]terephthalic acid
IUPAC Name:2-octadecan-9-yloxycarbonylterephthalic acid
Traditional Name:2-(1-octyldecoxycarbonyl)terephthalic acid
Formula: C27H42O6
MolecularWeight: 462.61878
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C27H42O6/c1-3-5-7-9-11-13-15-17-22(16-14-12-10-8-6-4-2)33-27(32)24-20-21(25(28)29)18-19-23(24)26(30)31/h18-20,22H,3-17H2,1-2H3,(H,28,29)(H,30,31)


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