2-(4-nonylphenyl)benzene-1,3-dicarboxylate

Systemtic Name: 2-(4-nonylphenyl)benzene-1,3-dicarboxylate Openeye Name: 2-(4-nonylphenyl)benzene-1,3-dicarboxylate CAS Name: 2-(4-nonylphenyl)benzene-1,3-dicarboxylate IUPAC Name: 2-(4-nonylphenyl)benzene-1,3-dicarboxylate Traditional Name: 2-(4-nonylphenyl)isophthalate Formula: C23H26O4-2 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H28O4/c1-2-3-4-5-6-7-8-10-17-13-15-18(16-14-17)21-19(22(24)25)11-9-12-20(21)23(26)27/h9,11-16H,2-8,10H2,1H3,(H,24,25)(H,26,27)/p-2