3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-oxidanyl-benzoic acid

Systemtic Name: 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-oxidanyl-benzoic acid Openeye Name: 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxy-benzoic acid CAS Name: 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxybenzoic acid IUPAC Name: 3,5-bis[[2-[2-(dodecylamino)ethylamino]ethylamino]methyl]-4-hydroxybenzoic acid Traditional Name: 4-hydroxy-3,5-bis[[2-[2-(laurylamino)ethylamino]ethylamino]methyl]benzoic acid Formula: C41H80N6O3 MolecularWeight: 705.1123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCCNCCNCC1=CC(=CC(=C1O)CNCCNCCNCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNCCNCCNCC1=CC(=CC(=C1O)CNCCNCCNCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C41H80N6O3/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-27-44-29-31-46-35-38-33-37(41(49)50)34-39(40(38)48)36-47-32-30-45-28-26-43-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,42-48H,3-32,35-36H2,1-2H3,(H,49,50)