[(2S,4S,6S)-4,6-dimethylnonan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2S,4S,6S)-4,6-dimethylnonan-2-yl] 4-chloranylbenzoate Openeye Name: [(1S,3S,5S)-1,3,5-trimethyloctyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S,4S,6S)-4,6-dimethylnonan-2-yl] ester IUPAC Name: [(2S,4S,6S)-4,6-dimethylnonan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S,3S,5S)-1,3,5-trimethyloctyl] ester Formula: C18H27ClO2 MolecularWeight: 310.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C)CC(C)OC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClO2/c1-5-6-13(2)11-14(3)12-15(4)21-18(20)16-7-9-17(19)10-8-16/h7-10,13-15H,5-6,11-12H2,1-4H3/t13-,14-,15-/m0/s1