5-(5-ethoxy-4-methyl-5-oxidanylidene-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoic acid

Systemtic Name: 5-(5-ethoxy-4-methyl-5-oxidanylidene-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoic acid Openeye Name: 5-(5-ethoxy-4-methyl-5-oxo-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoic acid CAS Name: 5-[(5-ethoxy-4-methyl-5-oxo-4-phenylpentyl)thio]-2-methyl-2-phenylpentanoic acid IUPAC Name: 5-(5-ethoxy-4-methyl-5-oxo-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentanoic acid Traditional Name: 5-[(5-ethoxy-5-keto-4-methyl-4-phenyl-pentyl)thio]-2-methyl-2-phenyl-valeric acid Formula: C26H34O4S MolecularWeight: 442.61076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCSCCCC(C)(C1=CC=CC=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(CCCSCCCC(C)(C1=CC=CC=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C26H34O4S/c1-4-30-24(29)26(3,22-15-9-6-10-16-22)18-12-20-31-19-11-17-25(2,23(27)28)21-13-7-5-8-14-21/h5-10,13-16H,4,11-12,17-20H2,1-3H3,(H,27,28)