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2-decoxycarbonyl-5-octoxycarbonyl-benzoic acid

2-decoxycarbonyl-5-octoxycarbonyl-benzoic acid

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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