[3-[(4-nitrophenyl)methoxycarbonyl]-4-oxidanyl-phenyl] 3-chloranyl-4-octoxy-benzoate

Systemtic Name: [3-[(4-nitrophenyl)methoxycarbonyl]-4-oxidanyl-phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-hydroxy-3-[(4-nitrophenyl)methoxycarbonyl]phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-hydroxy-3-[(4-nitrophenyl)methoxy-oxomethyl]phenyl] ester IUPAC Name: [4-hydroxy-3-[(4-nitrophenyl)methoxycarbonyl]phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-hydroxy-3-(4-nitrobenzyl)oxycarbonyl-phenyl] ester Formula: C29H30ClNO8 MolecularWeight: 556.0034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H30ClNO8/c1-2-3-4-5-6-7-16-37-27-15-10-21(17-25(27)30)28(33)39-23-13-14-26(32)24(18-23)29(34)38-19-20-8-11-22(12-9-20)31(35)36/h8-15,17-18,32H,2-7,16,19H2,1H3