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

Systemtic Name: 3-[[3-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[3-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[3-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 3-[[3-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[3-[3-(1-adamantyl)benzyl]oxybenzyl]thio]-2-methyl-propionic acid Formula: C28H34O3S MolecularWeight: 450.63276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC(=CC=C1)OCC2=CC=CC(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC(CSCC1=CC(=CC=C1)OCC2=CC=CC(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C28H34O3S/c1-19(27(29)30)17-32-18-21-5-3-7-26(12-21)31-16-20-4-2-6-25(11-20)28-13-22-8-23(14-28)10-24(9-22)15-28/h2-7,11-12,19,22-24H,8-10,13-18H2,1H3,(H,29,30)