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

Systemtic Name: 2,4-bis(2-nonylphenyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(2-nonylphenyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(2-nonylphenyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(2-nonylphenyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(2-nonylphenyl)isophthalate Formula: C38H48O4-2 MolecularWeight: 568.78532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=CC=C3CCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=CC=C3CCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C38H50O4/c1-3-5-7-9-11-13-15-21-29-23-17-19-25-31(29)33-27-28-34(37(39)40)35(36(33)38(41)42)32-26-20-18-24-30(32)22-16-14-12-10-8-6-4-2/h17-20,23-28H,3-16,21-22H2,1-2H3,(H,39,40)(H,41,42)/p-2