[4-(4-heptoxy-2-nitro-phenoxy)carbonylphenyl] 4-butylbenzoate

Systemtic Name: [4-(4-heptoxy-2-nitro-phenoxy)carbonylphenyl] 4-butylbenzoate Openeye Name: [4-(4-heptoxy-2-nitro-phenoxy)carbonylphenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(4-heptoxy-2-nitrophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-heptoxy-2-nitrophenoxy)carbonylphenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(4-heptoxy-2-nitro-phenoxy)carbonylphenyl] ester Formula: C31H35NO7 MolecularWeight: 533.6121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C31H35NO7/c1-3-5-7-8-9-21-37-27-19-20-29(28(22-27)32(35)36)39-31(34)25-15-17-26(18-16-25)38-30(33)24-13-11-23(12-14-24)10-6-4-2/h11-20,22H,3-10,21H2,1-2H3