(2S,3R,4S)-4-(6-chloranylhexyl)-2-(4-oxidanyl-3-oxidanylidene-butyl)-3-propan-2-yl-cyclopentan-1-one

Systemtic Name: (2S,3R,4S)-4-(6-chloranylhexyl)-2-(4-oxidanyl-3-oxidanylidene-butyl)-3-propan-2-yl-cyclopentan-1-one Openeye Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxy-3-oxo-butyl)-3-isopropyl-cyclopentanone CAS Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxy-3-oxobutyl)-3-propan-2-yl-1-cyclopentanone IUPAC Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxy-3-oxobutyl)-3-propan-2-ylcyclopentan-1-one Traditional Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxy-3-keto-butyl)-3-isopropyl-cyclopentanone Formula: C18H31ClO3 MolecularWeight: 330.88994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(CC(=O)C1CCC(=O)CO)CCCCCCCl

Isomeric SMILES

CC(C)[C@@H]1[C@H](CC(=O)[C@H]1CCC(=O)CO)CCCCCCCl

InChI

InChI=1S/C18H31ClO3/c1-13(2)18-14(7-5-3-4-6-10-19)11-17(22)16(18)9-8-15(21)12-20/h13-14,16,18,20H,3-12H2,1-2H3/t14-,16+,18+/m0/s1