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

Systemtic Name: 9-ethyl-2-(phenylmethyl)tridecanethioic S-acid Openeye Name: 2-benzyl-9-ethyl-tridecanethioic S-acid CAS Name: 9-ethyl-2-(phenylmethyl)tridecanethioic S-acid IUPAC Name: 2-benzyl-9-ethyltridecanethioic S-acid Traditional Name: 2-benzyl-9-ethyl-tridecanethioic S-acid Formula: C22H36OS MolecularWeight: 348.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCCCCCC(CC1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCC(CC)CCCCCCC(CC1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C22H36OS/c1-3-5-13-19(4-2)14-9-6-7-12-17-21(22(23)24)18-20-15-10-8-11-16-20/h8,10-11,15-16,19,21H,3-7,9,12-14,17-18H2,1-2H3,(H,23,24)