4-octyl-3-oxidanyl-phthalic acid

Systemtic Name: 4-octyl-3-oxidanyl-phthalic acid Openeye Name: 3-hydroxy-4-octyl-phthalic acid CAS Name: 3-hydroxy-4-octylphthalic acid IUPAC Name: 3-hydroxy-4-octylphthalic acid Traditional Name: 3-hydroxy-4-octyl-phthalic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

InChI

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