methyl 3-(1-oxidanyl-4,4-diphenyl-cyclohexyl)prop-2-ynoate

Systemtic Name: methyl 3-(1-oxidanyl-4,4-diphenyl-cyclohexyl)prop-2-ynoate Openeye Name: methyl 3-(1-hydroxy-4,4-diphenyl-cyclohexyl)prop-2-ynoate CAS Name: 3-(1-hydroxy-4,4-diphenylcyclohexyl)-2-propynoic acid methyl ester IUPAC Name: methyl 3-(1-hydroxy-4,4-diphenylcyclohexyl)prop-2-ynoate Traditional Name: 3-(1-hydroxy-4,4-diphenyl-cyclohexyl)propiolic acid methyl ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C#CC1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H22O3/c1-25-20(23)12-13-21(24)14-16-22(17-15-21,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,24H,14-17H2,1H3