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

Systemtic Name: 3-(1-adamantyl)-4-methyl-benzenecarbothioic S-acid Openeye Name: 3-(1-adamantyl)-4-methyl-benzenecarbothioic S-acid CAS Name: 3-(1-adamantyl)-4-methylbenzenecarbothioic S-acid IUPAC Name: 3-(1-adamantyl)-4-methylbenzenecarbothioic S-acid Traditional Name: 3-(1-adamantyl)-4-methyl-thiobenzoic acid Formula: C18H22OS MolecularWeight: 286.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)S)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)S)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22OS/c1-11-2-3-15(17(19)20)7-16(11)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-10H2,1H3,(H,19,20)