3-(4,4-dioctoxybutoxy)-2-oxidanyl-benzoic acid

Systemtic Name: 3-(4,4-dioctoxybutoxy)-2-oxidanyl-benzoic acid Openeye Name: 3-(4,4-dioctoxybutoxy)-2-hydroxy-benzoic acid CAS Name: 3-(4,4-dioctoxybutoxy)-2-hydroxybenzoic acid IUPAC Name: 3-(4,4-dioctoxybutoxy)-2-hydroxybenzoic acid Traditional Name: 3-(4,4-dioctoxybutoxy)-2-hydroxy-benzoic acid Formula: C27H46O6 MolecularWeight: 466.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CCCOC1=CC=CC(=C1O)C(=O)O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(CCCOC1=CC=CC(=C1O)C(=O)O)OCCCCCCCC

InChI

InChI=1S/C27H46O6/c1-3-5-7-9-11-13-20-32-25(33-21-14-12-10-8-6-4-2)19-16-22-31-24-18-15-17-23(26(24)28)27(29)30/h15,17-18,25,28H,3-14,16,19-22H2,1-2H3,(H,29,30)