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2-(6-methylheptoxycarbonyl)terephthalic acid

2-(6-methylheptoxycarbonyl)terephthalic acid

Systemtic Name:2-(6-methylheptoxycarbonyl)terephthalic acid
Openeye Name:2-(6-methylheptoxycarbonyl)terephthalic acid
CAS Name:2-[6-methylheptoxy(oxo)methyl]terephthalic acid
IUPAC Name:2-(6-methylheptoxycarbonyl)terephthalic acid
Traditional Name:2-(6-methylheptoxycarbonyl)terephthalic acid
Formula: C17H22O6
MolecularWeight: 322.35298
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C17H22O6/c1-11(2)6-4-3-5-9-23-17(22)14-10-12(15(18)19)7-8-13(14)16(20)21/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)


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