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1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid

1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid

Systemtic Name:1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid
Openeye Name:1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid
CAS Name:1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid
IUPAC Name:1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid
Traditional Name:1,3-bis(2-ethylhexyl)naphthalene-2,6-dicarboxylic acid
Formula: C28H40O4
MolecularWeight: 440.6148
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C2C=CC(=CC2=C1)C(=O)O)CC(CC)CCCC)C(=O)O


Isomeric SMILES

CCCCC(CC)CC1=C(C(=C2C=CC(=CC2=C1)C(=O)O)CC(CC)CCCC)C(=O)O


InChI

InChI=1S/C28H40O4/c1-5-9-11-19(7-3)15-23-18-22-17-21(27(29)30)13-14-24(22)25(26(23)28(31)32)16-20(8-4)12-10-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3,(H,29,30)(H,31,32)


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