2-pentoxycarbonylterephthalic acid; 6-phenoxyhexyl prop-2-enoate

Systemtic Name: 2-pentoxycarbonylterephthalic acid; 6-phenoxyhexyl prop-2-enoate Openeye Name: 2-pentoxycarbonylterephthalic acid; 6-phenoxyhexyl prop-2-enoate CAS Name: 2-[oxo(pentoxy)methyl]terephthalic acid; 2-propenoic acid 6-phenoxyhexyl ester IUPAC Name: 2-pentoxycarbonylterephthalic acid; 6-phenoxyhexyl prop-2-enoate Traditional Name: acrylic acid 6-phenoxyhexyl ester; 2-amoxycarbonylterephthalic acid Formula: C29H36O9 MolecularWeight: 528.59074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O.C=CC(=O)OCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O.C=CC(=O)OCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C15H20O3.C14H16O6/c1-2-15(16)18-13-9-4-3-8-12-17-14-10-6-5-7-11-14;1-2-3-4-7-20-14(19)11-8-9(12(15)16)5-6-10(11)13(17)18/h2,5-7,10-11H,1,3-4,8-9,12-13H2;5-6,8H,2-4,7H2,1H3,(H,15,16)(H,17,18)