3,6-bis(4-tetracosoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis(4-tetracosoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis(4-tetracosoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis(4-tetracosoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis(4-tetracosoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis(4-lignoceryloxyphenoxy)pyromellitic acid Formula: C70H110O12 MolecularWeight: 1143.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C70H110O12/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-55-79-57-47-51-59(52-48-57)81-65-61(67(71)72)63(69(75)76)66(64(70(77)78)62(65)68(73)74)82-60-53-49-58(50-54-60)80-56-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-54H,3-46,55-56H2,1-2H3,(H,71,72)(H,73,74)(H,75,76)(H,77,78)