3-[[4-[3-(1-adamantyl)phenyl]carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[[4-[3-(1-adamantyl)phenyl]carbonylphenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-[3-(1-adamantyl)benzoyl]phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-[[3-(1-adamantyl)phenyl]-oxomethyl]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[4-[3-(1-adamantyl)benzoyl]phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-[3-(1-adamantyl)benzoyl]benzyl]thio]-2-methyl-propionic acid Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C28H32O3S/c1-18(27(30)31)16-32-17-19-5-7-23(8-6-19)26(29)24-3-2-4-25(12-24)28-13-20-9-21(14-28)11-22(10-20)15-28/h2-8,12,18,20-22H,9-11,13-17H2,1H3,(H,30,31)