3-(1-adamantyl)-4-methylsulfanyl-benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-methylsulfanyl-benzoic acid Openeye Name: 3-(1-adamantyl)-4-methylsulfanyl-benzoic acid CAS Name: 3-(1-adamantyl)-4-(methylthio)benzoic acid IUPAC Name: 3-(1-adamantyl)-4-methylsulfanylbenzoic acid Traditional Name: 3-(1-adamantyl)-4-(methylthio)benzoic acid Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22O2S/c1-21-16-3-2-14(17(19)20)7-15(16)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,19,20)