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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(CC(C(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(CC(C(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)OCC4=CC=CC=C4

InChI

InChI=1S/C34H41NO6/c1-6-7-9-12-23(2)24(3)26-19-31(39-22-25-13-10-8-11-14-25)29-21-30(34(4,5)41-32(29)20-26)33(36)40-28-17-15-27(16-18-28)35(37)38/h8,10-11,13-20,23-24,30H,6-7,9,12,21-22H2,1-5H3