4-methyl-4-oxidanyl-2-(phenylmethyl)non-5-ynoic acid

Systemtic Name: 4-methyl-4-oxidanyl-2-(phenylmethyl)non-5-ynoic acid Openeye Name: 2-benzyl-4-hydroxy-4-methyl-non-5-ynoic acid CAS Name: 4-hydroxy-4-methyl-2-(phenylmethyl)-5-nonynoic acid IUPAC Name: 2-benzyl-4-hydroxy-4-methylnon-5-ynoic acid Traditional Name: 2-benzyl-4-hydroxy-4-methyl-non-5-ynoic acid Formula: C17H22O3 MolecularWeight: 274.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(C)(CC(CC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CCCC#CC(C)(CC(CC1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C17H22O3/c1-3-4-8-11-17(2,20)13-15(16(18)19)12-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,12-13H2,1-2H3,(H,18,19)