3-(2-chloranyl-6-nitro-phenyl)-1,1-dicyclohexyl-prop-2-yn-1-ol

Systemtic Name: 3-(2-chloranyl-6-nitro-phenyl)-1,1-dicyclohexyl-prop-2-yn-1-ol Openeye Name: 3-(2-chloro-6-nitro-phenyl)-1,1-dicyclohexyl-prop-2-yn-1-ol CAS Name: 3-(2-chloro-6-nitrophenyl)-1,1-dicyclohexyl-2-propyn-1-ol IUPAC Name: 3-(2-chloro-6-nitrophenyl)-1,1-dicyclohexylprop-2-yn-1-ol Traditional Name: 3-(2-chloro-6-nitro-phenyl)-1,1-dicyclohexyl-prop-2-yn-1-ol Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC2=C(C=CC=C2Cl)[N+](=O)[O-])(C3CCCCC3)O

Isomeric SMILES

C1CCC(CC1)C(C#CC2=C(C=CC=C2Cl)[N+](=O)[O-])(C3CCCCC3)O

InChI

InChI=1S/C21H26ClNO3/c22-19-12-7-13-20(23(25)26)18(19)14-15-21(24,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h7,12-13,16-17,24H,1-6,8-11H2