2-hexoxycarbonyl-3,5,6-trihexyl-terephthalic acid

Systemtic Name: 2-hexoxycarbonyl-3,5,6-trihexyl-terephthalic acid Openeye Name: 2-hexoxycarbonyl-3,5,6-trihexyl-terephthalic acid CAS Name: 2-[hexoxy(oxo)methyl]-3,5,6-trihexylterephthalic acid IUPAC Name: 2-hexoxycarbonyl-3,5,6-trihexylterephthalic acid Traditional Name: 2-hexoxycarbonyl-3,5,6-trihexyl-terephthalic acid Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC)C(=O)OCCCCCC)C(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC)C(=O)OCCCCCC)C(=O)O)CCCCCC

InChI

InChI=1S/C33H54O6/c1-5-9-13-17-21-25-26(22-18-14-10-6-2)29(32(36)37)30(33(38)39-24-20-16-12-8-4)27(28(25)31(34)35)23-19-15-11-7-3/h5-24H2,1-4H3,(H,34,35)(H,36,37)