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(4-octoxycarbonylphenyl) 3-nitro-4-octan-2-yloxy-benzoate

(4-octoxycarbonylphenyl) 3-nitro-4-octan-2-yloxy-benzoate

Systemtic Name:(4-octoxycarbonylphenyl) 3-nitro-4-octan-2-yloxy-benzoate
Openeye Name:(4-octoxycarbonylphenyl) 4-(1-methylheptoxy)-3-nitro-benzoate
CAS Name:3-nitro-4-octan-2-yloxybenzoic acid [4-[octoxy(oxo)methyl]phenyl] ester
IUPAC Name:(4-octoxycarbonylphenyl) 3-nitro-4-octan-2-yloxybenzoate
Traditional Name:4-(1-methylheptoxy)-3-nitro-benzoic acid (4-octoxycarbonylphenyl) ester
Formula: C30H41NO7
MolecularWeight: 527.64904
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)CCCCCC)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)CCCCCC)[N+](=O)[O-]


InChI

InChI=1S/C30H41NO7/c1-4-6-8-10-11-13-21-36-29(32)24-15-18-26(19-16-24)38-30(33)25-17-20-28(27(22-25)31(34)35)37-23(3)14-12-9-7-5-2/h15-20,22-23H,4-14,21H2,1-3H3


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