[3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(4-chlorophenyl)-6-hexyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(4-chlorophenyl)-6-hexyl-4-oxo-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-6-hexyl-4-oxochromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(4-chlorophenyl)-6-hexyl-4-keto-chromen-7-yl] ester Formula: C28H24ClNO6 MolecularWeight: 505.94626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H24ClNO6/c1-2-3-4-5-6-20-15-23-26(35-17-24(27(23)31)18-7-11-21(29)12-8-18)16-25(20)36-28(32)19-9-13-22(14-10-19)30(33)34/h7-17H,2-6H2,1H3