6-butyl-2-phenyl-undecanethioic S-acid

Systemtic Name: 6-butyl-2-phenyl-undecanethioic S-acid Openeye Name: 6-butyl-2-phenyl-undecanethioic S-acid CAS Name: 6-butyl-2-phenylundecanethioic S-acid IUPAC Name: 6-butyl-2-phenylundecanethioic S-acid Traditional Name: 6-butyl-2-phenyl-undecanethioic S-acid Formula: C21H34OS MolecularWeight: 334.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCCC(C1=CC=CC=C1)C(=O)S

Isomeric SMILES

CCCCCC(CCCC)CCCC(C1=CC=CC=C1)C(=O)S

InChI

InChI=1S/C21H34OS/c1-3-5-8-13-18(12-6-4-2)14-11-17-20(21(22)23)19-15-9-7-10-16-19/h7,9-10,15-16,18,20H,3-6,8,11-14,17H2,1-2H3,(H,22,23)