4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)benzenecarbothioic S-acid

Systemtic Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)benzenecarbothioic S-acid Openeye Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)benzenecarbothioic S-acid CAS Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)benzenecarbothioic S-acid IUPAC Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)benzenecarbothioic S-acid Traditional Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)thiobenzoic acid Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=CC(=C1)C(=O)S)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(OC)OCOC1=C(C=CC(=C1)C(=O)S)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28O4S/c1-13(23-2)24-12-25-19-8-17(20(22)26)3-4-18(19)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,22,26)