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

Systemtic Name: 2,4-bis(4-octoxycarbonylphenyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(4-octoxycarbonylphenyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis[4-[octoxy(oxo)methyl]phenyl]benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(4-octoxycarbonylphenyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(4-octoxycarbonylphenyl)isophthalate Formula: C38H44O8-2 MolecularWeight: 628.75116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)C(=O)OCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)C(=O)OCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C38H46O8/c1-3-5-7-9-11-13-25-45-37(43)29-19-15-27(16-20-29)31-23-24-32(35(39)40)33(34(31)36(41)42)28-17-21-30(22-18-28)38(44)46-26-14-12-10-8-6-4-2/h15-24H,3-14,25-26H2,1-2H3,(H,39,40)(H,41,42)/p-2