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benzene-1,3-dicarboxylic acid; oxiran-2-ylmethyl 7-methyloctanoate

benzene-1,3-dicarboxylic acid; oxiran-2-ylmethyl 7-methyloctanoate

Systemtic Name:benzene-1,3-dicarboxylic acid; oxiran-2-ylmethyl 7-methyloctanoate
Openeye Name:isophthalic acid; oxiran-2-ylmethyl 7-methyloctanoate
CAS Name:benzene-1,3-dicarboxylic acid; 7-methyloctanoic acid 2-oxiranylmethyl ester
IUPAC Name:benzene-1,3-dicarboxylic acid; oxiran-2-ylmethyl 7-methyloctanoate
Traditional Name:isophthalic acid; 7-methylcaprylic acid glycidyl ester
Formula: C32H50O10
MolecularWeight: 594.7334
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OCC1CO1.CC(C)CCCCCC(=O)OCC1CO1.C1=CC(=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CC(C)CCCCCC(=O)OCC1CO1.CC(C)CCCCCC(=O)OCC1CO1.C1=CC(=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/2C12H22O3.C8H6O4/c2*1-10(2)6-4-3-5-7-12(13)15-9-11-8-14-11;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*10-11H,3-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)


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