[4-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] hexadecane-1-sulfonate

Systemtic Name: [4-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] hexadecane-1-sulfonate Openeye Name: [4-methyl-2-[(E)-2-(4-nitrophenyl)vinyl]-6-oxo-1-pyridyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [4-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-6-oxopyridin-1-yl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [2-keto-4-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1-pyridyl] ester Formula: C30H44N2O6S MolecularWeight: 560.74516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C30H44N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-39(36,37)38-31-29(24-26(2)25-30(31)33)22-19-27-17-20-28(21-18-27)32(34)35/h17-22,24-25H,3-16,23H2,1-2H3/b22-19+