(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl) 1-hexylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl) 1-hexylpyridin-1-ium-3-carboxylate Openeye Name: (2-hexadecyl-2,5,7,8-tetramethyl-chroman-6-yl) 1-hexylpyridin-1-ium-3-carboxylate CAS Name: 1-hexyl-3-pyridin-1-iumcarboxylic acid (2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl) 1-hexylpyridin-1-ium-3-carboxylate Traditional Name: 1-hexylpyridin-1-ium-3-carboxylic acid (2-cetyl-2,5,7,8-tetramethyl-chroman-6-yl) ester Formula: C41H66NO3+ MolecularWeight: 620.96764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C3=C[N+](=CC=C3)CCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C3=C[N+](=CC=C3)CCCCCC)C)C

InChI

InChI=1S/C41H66NO3/c1-7-9-11-13-14-15-16-17-18-19-20-21-22-23-28-41(6)29-27-37-35(5)38(33(3)34(4)39(37)45-41)44-40(43)36-26-25-31-42(32-36)30-24-12-10-8-2/h25-26,31-32H,7-24,27-30H2,1-6H3/q+1