6-(6-ethoxy-5-methyl-6-oxidanylidene-5-phenyl-hexyl)sulfanyl-2-methyl-2-phenyl-hexanoic acid

Systemtic Name: 6-(6-ethoxy-5-methyl-6-oxidanylidene-5-phenyl-hexyl)sulfanyl-2-methyl-2-phenyl-hexanoic acid Openeye Name: 6-(6-ethoxy-5-methyl-6-oxo-5-phenyl-hexyl)sulfanyl-2-methyl-2-phenyl-hexanoic acid CAS Name: 6-[(6-ethoxy-5-methyl-6-oxo-5-phenylhexyl)thio]-2-methyl-2-phenylhexanoic acid IUPAC Name: 6-(6-ethoxy-5-methyl-6-oxo-5-phenylhexyl)sulfanyl-2-methyl-2-phenylhexanoic acid Traditional Name: 6-[(6-ethoxy-6-keto-5-methyl-5-phenyl-hexyl)thio]-2-methyl-2-phenyl-hexanoic acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4S/c1-4-32-26(31)28(3,24-17-9-6-10-18-24)20-12-14-22-33-21-13-11-19-27(2,25(29)30)23-15-7-5-8-16-23/h5-10,15-18H,4,11-14,19-22H2,1-3H3,(H,29,30)