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4-decoxycarbonyl-3-octoxycarbonyl-benzoic acid

4-decoxycarbonyl-3-octoxycarbonyl-benzoic acid

Systemtic Name:4-decoxycarbonyl-3-octoxycarbonyl-benzoic acid
Openeye Name:4-decoxycarbonyl-3-octoxycarbonyl-benzoic acid
CAS Name:4-[decoxy(oxo)methyl]-3-[octoxy(oxo)methyl]benzoic acid
IUPAC Name:4-decoxycarbonyl-3-octoxycarbonylbenzoic acid
Traditional Name:4-decoxycarbonyl-3-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)O)C(=O)OCCCCCCCC


Isomeric SMILES

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


InChI

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


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