(4-nitrophenyl)methyl 5-(4-hexoxyphenyl)carbonyloxy-2-oxidanyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 5-(4-hexoxyphenyl)carbonyloxy-2-oxidanyl-benzoate Openeye Name: (4-nitrophenyl)methyl 5-(4-hexoxybenzoyl)oxy-2-hydroxy-benzoate CAS Name: 5-[(4-hexoxyphenyl)-oxomethoxy]-2-hydroxybenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(4-hexoxybenzoyl)oxy-2-hydroxybenzoate Traditional Name: 5-(4-hexoxybenzoyl)oxy-2-hydroxy-benzoic acid (4-nitrobenzyl) ester Formula: C27H27NO8 MolecularWeight: 493.50518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H27NO8/c1-2-3-4-5-16-34-22-12-8-20(9-13-22)26(30)36-23-14-15-25(29)24(17-23)27(31)35-18-19-6-10-21(11-7-19)28(32)33/h6-15,17,29H,2-5,16,18H2,1H3