4-methyl-2-phenyl-tetradecanethioic S-acid

Systemtic Name: 4-methyl-2-phenyl-tetradecanethioic S-acid Openeye Name: 4-methyl-2-phenyl-tetradecanethioic S-acid CAS Name: 4-methyl-2-phenyltetradecanethioic S-acid IUPAC Name: 4-methyl-2-phenyltetradecanethioic S-acid Traditional Name: 4-methyl-2-phenyl-thiomyristic acid Formula: C21H34OS MolecularWeight: 334.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)CC(C1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCCCCCCCC(C)CC(C1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C21H34OS/c1-3-4-5-6-7-8-9-11-14-18(2)17-20(21(22)23)19-15-12-10-13-16-19/h10,12-13,15-16,18,20H,3-9,11,14,17H2,1-2H3,(H,22,23)