octatriacontanedioate; terephthalate

Systemtic Name: octatriacontanedioate; terephthalate Openeye Name: octatriacontanedioate; terephthalate CAS Name: octatriacontanedioate; terephthalate IUPAC Name: octatriacontanedioate; terephthalate Traditional Name: octatriacontanedioate; terephthalate Formula: C46H76O8-4 MolecularWeight: 757.09084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C(CCCCCCCCCCCCCCCCCCC(=O)[O-])CCCCCCCCCCCCCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C(CCCCCCCCCCCCCCCCCCC(=O)[O-])CCCCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C38H74O4.C8H6O4/c39-37(40)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(41)42;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-36H2,(H,39,40)(H,41,42);1-4H,(H,9,10)(H,11,12)/p-4