(2S,3R,4S)-4-(6-chloranylhexyl)-2-(4-oxidanylbut-2-ynyl)-3-propan-2-yl-cyclopentan-1-one

Systemtic Name: (2S,3R,4S)-4-(6-chloranylhexyl)-2-(4-oxidanylbut-2-ynyl)-3-propan-2-yl-cyclopentan-1-one Openeye Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxybut-2-ynyl)-3-isopropyl-cyclopentanone CAS Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxybut-2-ynyl)-3-propan-2-yl-1-cyclopentanone IUPAC Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxybut-2-ynyl)-3-propan-2-ylcyclopentan-1-one Traditional Name: (2S,3R,4S)-4-(6-chlorohexyl)-2-(4-hydroxybut-2-ynyl)-3-isopropyl-cyclopentanone Formula: C18H29ClO2 MolecularWeight: 312.87466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(CC(=O)C1CC#CCO)CCCCCCCl

Isomeric SMILES

CC(C)[C@@H]1[C@H](CC(=O)[C@H]1CC#CCO)CCCCCCCl

InChI

InChI=1S/C18H29ClO2/c1-14(2)18-15(9-5-3-4-7-11-19)13-17(21)16(18)10-6-8-12-20/h14-16,18,20H,3-5,7,9-13H2,1-2H3/t15-,16+,18+/m0/s1