2,3-bis(4-octoxycarbonylphenyl)terephthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=C(C=C3)C(=O)OCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=C(C=C3)C(=O)OCCCCCCCC)C(=O)O)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)33-31(35(39)40)23-24-32(36(41)42)34(33)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)