[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C28H24ClNO6 MolecularWeight: 505.94626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C28H24ClNO6/c1-15-12-21-23(13-16(15)2)35-25(17-6-8-18(9-7-17)28(3,4)5)26(24(21)31)36-27(32)20-11-10-19(30(33)34)14-22(20)29/h6-14H,1-5H3