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5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzenecarbothioic S-acid

5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzenecarbothioic S-acid

Systemtic Name:5-(1-adamantyl)-2-fluoranyl-4-methoxy-benzenecarbothioic S-acid
Openeye Name:5-(1-adamantyl)-2-fluoro-4-methoxy-benzenecarbothioic S-acid
CAS Name:5-(1-adamantyl)-2-fluoro-4-methoxybenzenecarbothioic S-acid
IUPAC Name:5-(1-adamantyl)-2-fluoro-4-methoxybenzenecarbothioic S-acid
Traditional Name:5-(1-adamantyl)-2-fluoro-4-methoxy-thiobenzoic acid
Formula: C18H21FO2S
MolecularWeight: 320.421543
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)F)C(=O)S)C23CC4CC(C2)CC(C4)C3


Isomeric SMILES

COC1=C(C=C(C(=C1)F)C(=O)S)C23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C18H21FO2S/c1-21-16-6-15(19)13(17(20)22)5-14(16)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9H2,1H3,(H,20,22)


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