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

Systemtic Name: (4-nitrophenyl) 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Openeye Name: (4-nitrophenyl) 5-benzyloxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chromane-4-carboxylate CAS Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Traditional Name: 5-benzoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-carboxylic acid (4-nitrophenyl) ester Formula: C34H41NO6 MolecularWeight: 559.69244

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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)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C34H41NO6/c1-6-7-8-12-19-33(2,3)25-20-29(39-23-24-13-10-9-11-14-24)31-28(22-34(4,5)41-30(31)21-25)32(36)40-27-17-15-26(16-18-27)35(37)38/h9-11,13-18,20-21,28H,6-8,12,19,22-23H2,1-5H3