(4-nitrophenyl) 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylate

Systemtic Name: (4-nitrophenyl) 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carboxylate Openeye Name: (4-nitrophenyl) 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chromane-4-carboxylate CAS Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromene-4-carboxylate Traditional Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-carboxylic acid (4-nitrophenyl) ester Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)O

InChI

InChI=1S/C27H35NO6/c1-6-7-8-9-14-26(2,3)18-15-22(29)24-21(17-27(4,5)34-23(24)16-18)25(30)33-20-12-10-19(11-13-20)28(31)32/h10-13,15-16,21,29H,6-9,14,17H2,1-5H3