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benzene-1,3-dicarboxylic acid; bis(2-ethylhexyl) hydrogen phosphate

benzene-1,3-dicarboxylic acid; bis(2-ethylhexyl) hydrogen phosphate

Systemtic Name:benzene-1,3-dicarboxylic acid; bis(2-ethylhexyl) hydrogen phosphate
Openeye Name:bis(2-ethylhexyl) hydrogen phosphate; isophthalic acid
CAS Name:benzene-1,3-dicarboxylic acid; bis(2-ethylhexyl) hydrogen phosphate
IUPAC Name:benzene-1,3-dicarboxylic acid; bis(2-ethylhexyl) hydrogen phosphate
Traditional Name:bis(2-ethylhexyl) hydrogen phosphate; isophthalic acid
Formula: C24H41O8P
MolecularWeight: 488.551301
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.C1=CC(=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.C1=CC(=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C16H35O4P.C8H6O4/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;9-7(10)5-2-1-3-6(4-5)8(11)12/h15-16H,5-14H2,1-4H3,(H,17,18);1-4H,(H,9,10)(H,11,12)


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