2-octyl-5-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 2-octyl-5-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: 5-hydroxy-2-octyl-benzene-1,3-dicarboxylate CAS Name: 5-hydroxy-2-octylbenzene-1,3-dicarboxylate IUPAC Name: 5-hydroxy-2-octylbenzene-1,3-dicarboxylate Traditional Name: 5-hydroxy-2-octyl-isophthalate Formula: C16H20O5-2 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C16H22O5/c1-2-3-4-5-6-7-8-12-13(15(18)19)9-11(17)10-14(12)16(20)21/h9-10,17H,2-8H2,1H3,(H,18,19)(H,20,21)/p-2