5-ethyl-2-(phenylmethyl)tridecanethioic S-acid

Systemtic Name: 5-ethyl-2-(phenylmethyl)tridecanethioic S-acid Openeye Name: 2-benzyl-5-ethyl-tridecanethioic S-acid CAS Name: 5-ethyl-2-(phenylmethyl)tridecanethioic S-acid IUPAC Name: 2-benzyl-5-ethyltridecanethioic S-acid Traditional Name: 2-benzyl-5-ethyl-tridecanethioic S-acid Formula: C22H36OS MolecularWeight: 348.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)CCC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCCCCCC(CC)CCC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C22H36OS/c1-3-5-6-7-8-10-13-19(4-2)16-17-21(22(23)24)18-20-14-11-9-12-15-20/h9,11-12,14-15,19,21H,3-8,10,13,16-18H2,1-2H3,(H,23,24)