2,3-bis(octadecoxycarbonylamino)terephthalic acid

Systemtic Name: 2,3-bis(octadecoxycarbonylamino)terephthalic acid Openeye Name: 2,3-bis(octadecoxycarbonylamino)terephthalic acid CAS Name: 2,3-bis[[octadecoxy(oxo)methyl]amino]terephthalic acid IUPAC Name: 2,3-bis(octadecoxycarbonylamino)terephthalic acid Traditional Name: 2,3-bis(stearyloxycarbonylamino)terephthalic acid Formula: C46H80N2O8 MolecularWeight: 789.136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)NC1=C(C=CC(=C1NC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)NC1=C(C=CC(=C1NC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C46H80N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-55-45(53)47-41-39(43(49)50)35-36-40(44(51)52)42(41)48-46(54)56-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)