4-methyl-2-(phenylmethyl)tetradecanethioic S-acid

Systemtic Name: 4-methyl-2-(phenylmethyl)tetradecanethioic S-acid Openeye Name: 2-benzyl-4-methyl-tetradecanethioic S-acid CAS Name: 4-methyl-2-(phenylmethyl)tetradecanethioic S-acid IUPAC Name: 2-benzyl-4-methyltetradecanethioic S-acid Traditional Name: 2-benzyl-4-methyl-thiomyristic acid Formula: C22H36OS MolecularWeight: 348.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)CC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCCCCCCCC(C)CC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C22H36OS/c1-3-4-5-6-7-8-9-11-14-19(2)17-21(22(23)24)18-20-15-12-10-13-16-20/h10,12-13,15-16,19,21H,3-9,11,14,17-18H2,1-2H3,(H,23,24)