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[(10R)-7-ethoxycarbonyl-8-oxidanylidene-henicosan-10-yl] benzoate

[(10R)-7-ethoxycarbonyl-8-oxidanylidene-henicosan-10-yl] benzoate

Systemtic Name:[(10R)-7-ethoxycarbonyl-8-oxidanylidene-henicosan-10-yl] benzoate
Openeye Name:[(1R)-1-(3-ethoxycarbonyl-2-oxo-nonyl)dodecyl] benzoate
CAS Name:benzoic acid [(10R)-7-ethoxycarbonyl-8-oxoheneicosan-10-yl] ester
IUPAC Name:[(10R)-7-ethoxycarbonyl-8-oxohenicosan-10-yl] benzoate
Traditional Name:benzoic acid [(1R)-1-(3-carbethoxy-2-keto-nonyl)dodecyl] ester
Formula: C31H50O5
MolecularWeight: 502.7257
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)C(CCCCCC)C(=O)OCC)OC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCC[C@H](CC(=O)C(CCCCCC)C(=O)OCC)OC(=O)C1=CC=CC=C1


InChI

InChI=1S/C31H50O5/c1-4-7-9-11-12-13-14-15-19-23-27(36-30(33)26-21-17-16-18-22-26)25-29(32)28(31(34)35-6-3)24-20-10-8-5-2/h16-18,21-22,27-28H,4-15,19-20,23-25H2,1-3H3/t27-,28?/m1/s1


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