2,5-bis[12-methyl-11,13-bis(oxidanylidene)tridec-12-enoxy]terephthalic acid

Systemtic Name: 2,5-bis[12-methyl-11,13-bis(oxidanylidene)tridec-12-enoxy]terephthalic acid Openeye Name: 2,5-bis(12-methyl-11,13-dioxo-tridec-12-enoxy)terephthalic acid CAS Name: 2,5-bis(12-methyl-11,13-dioxotridec-12-enoxy)terephthalic acid IUPAC Name: 2,5-bis(12-methyl-11,13-dioxotridec-12-enoxy)terephthalic acid Traditional Name: 2,5-bis(11,13-diketo-12-methyl-tridec-12-enoxy)terephthalic acid Formula: C36H50O10 MolecularWeight: 642.7762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C=O)C(=O)CCCCCCCCCCOC1=CC(=C(C=C1C(=O)O)OCCCCCCCCCCC(=O)C(=C=O)C)C(=O)O

Isomeric SMILES

CC(=C=O)C(=O)CCCCCCCCCCOC1=CC(=C(C=C1C(=O)O)OCCCCCCCCCCC(=O)C(=C=O)C)C(=O)O

InChI

InChI=1S/C36H50O10/c1-27(25-37)31(39)19-15-11-7-3-5-9-13-17-21-45-33-23-30(36(43)44)34(24-29(33)35(41)42)46-22-18-14-10-6-4-8-12-16-20-32(40)28(2)26-38/h23-24H,3-22H2,1-2H3,(H,41,42)(H,43,44)