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4-heptoxycarbonyl-3-nonoxycarbonyl-benzoic acid

4-heptoxycarbonyl-3-nonoxycarbonyl-benzoic acid

Systemtic Name:4-heptoxycarbonyl-3-nonoxycarbonyl-benzoic acid
Openeye Name:4-heptoxycarbonyl-3-nonoxycarbonyl-benzoic acid
CAS Name:4-[heptoxy(oxo)methyl]-3-[nonoxy(oxo)methyl]benzoic acid
IUPAC Name:4-heptoxycarbonyl-3-nonoxycarbonylbenzoic acid
Traditional Name:4-heptoxycarbonyl-3-nonoxycarbonyl-benzoic acid
Formula: C25H38O6
MolecularWeight: 434.56562
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)OCCCCCCC


Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)OCCCCCCC


InChI

InChI=1S/C25H38O6/c1-3-5-7-9-10-12-14-18-31-25(29)22-19-20(23(26)27)15-16-21(22)24(28)30-17-13-11-8-6-4-2/h15-16,19H,3-14,17-18H2,1-2H3,(H,26,27)


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