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

Systemtic Name: 3-(1-adamantyl)-4-methoxy-benzenecarbothioic S-acid Openeye Name: 3-(1-adamantyl)-4-methoxy-benzenecarbothioic S-acid CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarbothioic S-acid IUPAC Name: 3-(1-adamantyl)-4-methoxybenzenecarbothioic S-acid Traditional Name: 3-(1-adamantyl)-4-methoxy-thiobenzoic acid Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2S/c1-20-16-3-2-14(17(19)21)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,19,21)