6-[2,3-bis(5-carboxylatoheptyl)-4-oxidanyl-6-[tris(dimethylamino)methyl]phenyl]-2-ethyl-hexanoate

Systemtic Name: 6-[2,3-bis(5-carboxylatoheptyl)-4-oxidanyl-6-[tris(dimethylamino)methyl]phenyl]-2-ethyl-hexanoate Openeye Name: 6-[2,3-bis(5-carboxylatoheptyl)-4-hydroxy-6-[tris(dimethylamino)methyl]phenyl]-2-ethyl-hexanoate CAS Name: 6-[2,3-bis(5-carboxylatoheptyl)-4-hydroxy-6-[tris(dimethylamino)methyl]phenyl]-2-ethylhexanoate IUPAC Name: 6-[2,3-bis(5-carboxylatoheptyl)-4-hydroxy-6-[tris(dimethylamino)methyl]phenyl]-2-ethylhexanoate Traditional Name: 6-[2,3-bis(5-carboxylatoheptyl)-4-hydroxy-6-[tris(dimethylamino)methyl]phenyl]-2-ethyl-hexanoate Formula: C37H62N3O7-3 MolecularWeight: 660.90408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC1=C(C(=C(C=C1C(N(C)C)(N(C)C)N(C)C)O)CCCCC(CC)C(=O)[O-])CCCCC(CC)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(CCCCC1=C(C(=C(C=C1C(N(C)C)(N(C)C)N(C)C)O)CCCCC(CC)C(=O)[O-])CCCCC(CC)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C37H65N3O7/c1-10-26(34(42)43)19-13-16-22-29-30(23-17-14-20-27(11-2)35(44)45)32(37(38(4)5,39(6)7)40(8)9)25-33(41)31(29)24-18-15-21-28(12-3)36(46)47/h25-28,41H,10-24H2,1-9H3,(H,42,43)(H,44,45)(H,46,47)/p-3