[(2R,4S)-1-chloranyl-6-methylidene-4-oxidanyl-dec-9-en-2-yl] benzoate

Systemtic Name: [(2R,4S)-1-chloranyl-6-methylidene-4-oxidanyl-dec-9-en-2-yl] benzoate Openeye Name: [(1R,3S)-1-(chloromethyl)-3-hydroxy-5-methylene-non-8-enyl] benzoate CAS Name: benzoic acid [(2R,4S)-1-chloro-4-hydroxy-6-methylenedec-9-en-2-yl] ester IUPAC Name: [(2R,4S)-1-chloro-4-hydroxy-6-methylidenedec-9-en-2-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-1-(chloromethyl)-3-hydroxy-5-methylene-non-8-enyl] ester Formula: C18H23ClO3 MolecularWeight: 322.82642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClO3/c1-3-4-8-14(2)11-16(20)12-17(13-19)22-18(21)15-9-6-5-7-10-15/h3,5-7,9-10,16-17,20H,1-2,4,8,11-13H2/t16-,17+/m0/s1