2,4-diheptyl-5-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 2,4-diheptyl-5-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: 2,4-diheptyl-5-hydroxy-benzene-1,3-dicarboxylate CAS Name: 2,4-diheptyl-5-hydroxybenzene-1,3-dicarboxylate IUPAC Name: 2,4-diheptyl-5-hydroxybenzene-1,3-dicarboxylate Traditional Name: 2,4-diheptyl-5-hydroxy-isophthalate Formula: C22H32O5-2 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)CCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)CCCCCCC)C(=O)[O-]

InChI

InChI=1S/C22H34O5/c1-3-5-7-9-11-13-16-18(21(24)25)15-19(23)17(20(16)22(26)27)14-12-10-8-6-4-2/h15,23H,3-14H2,1-2H3,(H,24,25)(H,26,27)/p-2