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5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid

5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid

Systemtic Name:5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid
Openeye Name:5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid
CAS Name:5-[decoxy(oxo)methyl]-2-[octoxy(oxo)methyl]benzoic acid
IUPAC Name:5-decoxycarbonyl-2-octoxycarbonylbenzoic acid
Traditional Name:5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid
Formula: C27H42O6
MolecularWeight: 462.61878
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)O


InChI

InChI=1S/C27H42O6/c1-3-5-7-9-11-12-14-15-19-32-26(30)22-17-18-23(24(21-22)25(28)29)27(31)33-20-16-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)


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