2-(3-chloranyl-4-cyclohexyl-phenyl)-2-(9H-xanthen-9-yl)butanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclohexyl-phenyl)-2-(9H-xanthen-9-yl)butanoic acid Openeye Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-(9H-xanthen-9-yl)butanoic acid CAS Name: 2-(3-chloro-4-cyclohexylphenyl)-2-(9H-xanthen-9-yl)butanoic acid IUPAC Name: 2-(3-chloro-4-cyclohexylphenyl)-2-(9H-xanthen-9-yl)butanoic acid Traditional Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-(9H-xanthen-9-yl)butyric acid Formula: C29H29ClO3 MolecularWeight: 460.99176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC(=C(C=C4)C5CCCCC5)Cl)C(=O)O

Isomeric SMILES

CCC(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC(=C(C=C4)C5CCCCC5)Cl)C(=O)O

InChI

InChI=1S/C29H29ClO3/c1-2-29(28(31)32,20-16-17-21(24(30)18-20)19-10-4-3-5-11-19)27-22-12-6-8-14-25(22)33-26-15-9-7-13-23(26)27/h6-9,12-19,27H,2-5,10-11H2,1H3,(H,31,32)