[4-(4-butoxy-2-nitro-phenoxy)carbonylphenyl] 4-heptylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)OCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)OCCCC)[N+](=O)[O-]

InChI

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