3,3-dimethyl-5-oxidanylidene-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[5-(6-phenylhexyl)-2-thienyl]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[5-(6-phenylhexyl)-2-thiophenyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[5-(6-phenylhexyl)-2-thienyl]valeric acid Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C23H30O3S/c1-23(2,17-22(25)26)16-20(24)21-15-14-19(27-21)13-9-4-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-12,14-15H,3-4,6,9-10,13,16-17H2,1-2H3,(H,25,26)