2-hexyldecyl 2-[(2E)-2-[3-(naphthalen-1-ylcarbamoyl)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzoate

Systemtic Name: 2-hexyldecyl 2-[(2E)-2-[3-(naphthalen-1-ylcarbamoyl)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzoate Openeye Name: 2-hexyldecyl 2-[(2E)-2-[3-(1-naphthylcarbamoyl)-4-oxo-1-naphthylidene]hydrazino]benzoate CAS Name: 2-[(2E)-2-[3-[(1-naphthalenylamino)-oxomethyl]-4-oxo-1-naphthalenylidene]hydrazinyl]benzoic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 2-[(2E)-2-[3-(naphthalen-1-ylcarbamoyl)-4-oxonaphthalen-1-ylidene]hydrazinyl]benzoate Traditional Name: 2-[(N'E)-N'-[4-keto-3-(1-naphthylcarbamoyl)-1-naphthylidene]hydrazino]benzoic acid 2-hexyldecyl ester Formula: C44H51N3O4 MolecularWeight: 685.89344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=CC=CC=C1NN=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=CC=CC=C1N/N=C/2\C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C44H51N3O4/c1-3-5-7-9-10-12-21-32(20-11-8-6-4-2)31-51-44(50)37-27-17-18-28-40(37)46-47-41-30-38(42(48)36-26-16-15-25-35(36)41)43(49)45-39-29-19-23-33-22-13-14-24-34(33)39/h13-19,22-30,32,46H,3-12,20-21,31H2,1-2H3,(H,45,49)/b47-41+