4,5-bis(16-methylheptadecoxycarbonyl)phthalic acid

Systemtic Name: 4,5-bis(16-methylheptadecoxycarbonyl)phthalic acid Openeye Name: 4,5-bis(16-methylheptadecoxycarbonyl)phthalic acid CAS Name: 4,5-bis[16-methylheptadecoxy(oxo)methyl]phthalic acid IUPAC Name: 4,5-bis(16-methylheptadecoxycarbonyl)phthalic acid Traditional Name: 4,5-bis(16-methylheptadecoxycarbonyl)phthalic acid Formula: C46H78O8 MolecularWeight: 759.10672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C46H78O8/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-53-45(51)41-35-39(43(47)48)40(44(49)50)36-42(41)46(52)54-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h35-38H,5-34H2,1-4H3,(H,47,48)(H,49,50)