3-methyl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid

Systemtic Name: 3-methyl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid Openeye Name: 3-methyl-5-[5-(6-phenylhexyl)-2-thienyl]pentanoic acid CAS Name: 3-methyl-5-[5-(6-phenylhexyl)-2-thiophenyl]pentanoic acid IUPAC Name: 3-methyl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid Traditional Name: 3-methyl-5-[5-(6-phenylhexyl)-2-thienyl]valeric acid Formula: C22H30O2S MolecularWeight: 358.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C22H30O2S/c1-18(17-22(23)24)13-14-21-16-15-20(25-21)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,15-16,18H,2-3,5,8-9,12-14,17H2,1H3,(H,23,24)