2,4-bis(2-octoxycarbonylphenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-octoxycarbonylphenyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(2-octoxycarbonylphenyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis[2-[octoxy(oxo)methyl]phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(2-octoxycarbonylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(2-octoxycarbonylphenyl)isophthalic acid Formula: C38H46O8 MolecularWeight: 630.76704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)OCCCCCCCC)C(=O)O

InChI

InChI=1S/C38H46O8/c1-3-5-7-9-11-17-25-45-37(43)30-21-15-13-19-27(30)29-23-24-32(35(39)40)33(34(29)36(41)42)28-20-14-16-22-31(28)38(44)46-26-18-12-10-8-6-4-2/h13-16,19-24H,3-12,17-18,25-26H2,1-2H3,(H,39,40)(H,41,42)