4-[4-(1-adamantyl)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[4-(1-adamantyl)phenyl]sulfanylbutanoic acid Openeye Name: 4-[4-(1-adamantyl)phenyl]sulfanylbutanoic acid CAS Name: 4-[[4-(1-adamantyl)phenyl]thio]butanoic acid IUPAC Name: 4-[4-(1-adamantyl)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[4-(1-adamantyl)phenyl]thio]butyric acid Formula: C20H26O2S MolecularWeight: 330.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)SCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)SCCCC(=O)O

InChI

InChI=1S/C20H26O2S/c21-19(22)2-1-7-23-18-5-3-17(4-6-18)20-11-14-8-15(12-20)10-16(9-14)13-20/h3-6,14-16H,1-2,7-13H2,(H,21,22)