[(2S,5R)-5-ethylnonan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2S,5R)-5-ethylnonan-2-yl] 4-chloranylbenzoate Openeye Name: [(1S,4R)-4-ethyl-1-methyl-octyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S,5R)-5-ethylnonan-2-yl] ester IUPAC Name: [(2S,5R)-5-ethylnonan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S,4R)-4-ethyl-1-methyl-octyl] ester Formula: C18H27ClO2 MolecularWeight: 310.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(C)OC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCCC[C@@H](CC)CC[C@H](C)OC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H27ClO2/c1-4-6-7-15(5-2)9-8-14(3)21-18(20)16-10-12-17(19)13-11-16/h10-15H,4-9H2,1-3H3/t14-,15+/m0/s1