2-[bis(2-ethylhexyl)amino]ethyl 2-oxidanylidenechromene-3-carboxylate chloride

Systemtic Name: 2-[bis(2-ethylhexyl)amino]ethyl 2-oxidanylidenechromene-3-carboxylate chloride Openeye Name: 2-[bis(2-ethylhexyl)amino]ethyl 2-oxochromene-3-carboxylate chloride CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[bis(2-ethylhexyl)amino]ethyl ester chloride IUPAC Name: 2-[bis(2-ethylhexyl)amino]ethyl 2-oxochromene-3-carboxylate chloride Traditional Name: 2-ketochromene-3-carboxylic acid 2-[bis(2-ethylhexyl)amino]ethyl ester chloride Formula: C28H43ClNO4- MolecularWeight: 493.09832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CCOC(=O)C1=CC2=CC=CC=C2OC1=O)CC(CC)CCCC.[Cl-]

Isomeric SMILES

CCCCC(CC)CN(CCOC(=O)C1=CC2=CC=CC=C2OC1=O)CC(CC)CCCC.[Cl-]

InChI

InChI=1S/C28H43NO4.ClH/c1-5-9-13-22(7-3)20-29(21-23(8-4)14-10-6-2)17-18-32-27(30)25-19-24-15-11-12-16-26(24)33-28(25)31;/h11-12,15-16,19,22-23H,5-10,13-14,17-18,20-21H2,1-4H3;1H/p-1