4,6-bis[[4-(2-ethylhexyl)phenyl]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis[4-(2-ethylhexyl)benzyl]isophthalic acid Formula: C38H50O4 MolecularWeight: 570.8012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CC(CC)CCCC

InChI

InChI=1S/C38H50O4/c1-5-9-11-27(7-3)21-29-13-17-31(18-14-29)23-33-25-34(36(38(41)42)26-35(33)37(39)40)24-32-19-15-30(16-20-32)22-28(8-4)12-10-6-2/h13-20,25-28H,5-12,21-24H2,1-4H3,(H,39,40)(H,41,42)