hexadecyl 4-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzoate

Systemtic Name: hexadecyl 4-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzoate Openeye Name: hexadecyl 4-[7-(diethylamino)-2-oxo-chromen-3-yl]benzoate CAS Name: 4-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-[7-(diethylamino)-2-oxochromen-3-yl]benzoate Traditional Name: 4-[7-(diethylamino)-2-keto-chromen-3-yl]benzoic acid cetyl ester Formula: C36H51NO4 MolecularWeight: 561.79444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N(CC)CC)OC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N(CC)CC)OC2=O

InChI

InChI=1S/C36H51NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-26-40-35(38)30-22-20-29(21-23-30)33-27-31-24-25-32(37(5-2)6-3)28-34(31)41-36(33)39/h20-25,27-28H,4-19,26H2,1-3H3